N-[5-[[5-[(3-azanyl-3-azanylidene-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-5-[[5-[bis(2-chloroethyl)amino-(phenylcarbonyl)amino]-2-methyl-pyrazol-3-yl]carbonylamino]-2-methyl-pyrazole-3-carboxamide

Systemtic Name: N-[5-[[5-[(3-azanyl-3-azanylidene-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-5-[[5-[bis(2-chloroethyl)amino-(phenylcarbonyl)amino]-2-methyl-pyrazol-3-yl]carbonylamino]-2-methyl-pyrazole-3-carboxamide Openeye Name: N-[5-[[5-[(3-amino-3-imino-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-5-[[5-[benzoyl-[bis(2-chloroethyl)amino]amino]-2-methyl-pyrazole-3-carbonyl]amino]-2-methyl-pyrazole-3-carboxamide CAS Name: N-[5-[[[5-[[(3-amino-3-iminopropyl)amino]-oxomethyl]-1-methyl-3-pyrrolyl]amino]-oxomethyl]-1-methyl-3-pyrrolyl]-5-[[[5-[benzoyl-[bis(2-chloroethyl)amino]amino]-2-methyl-3-pyrazolyl]-oxomethyl]amino]-2-methyl-3-pyrazolecarboxamide IUPAC Name: N-[5-[[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-5-[[5-[benzoyl-[bis(2-chloroethyl)amino]amino]-2-methylpyrazole-3-carbonyl]amino]-2-methylpyrazole-3-carboxamide Traditional Name: N-[5-[[5-[(3-amino-3-imino-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-5-[[5-[benzoyl-[bis(2-chloroethyl)amino]amino]-2-methyl-pyrazole-3-carbonyl]amino]-2-methyl-pyrazole-3-carboxamide Formula: C36H42Cl2N14O5 MolecularWeight: 821.71548

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NCCC(=N)N)NC(=O)C2=CC(=CN2C)NC(=O)C3=CC(=NN3C)NC(=O)C4=CC(=NN4C)N(C(=O)C5=CC=CC=C5)N(CCCl)CCCl

Isomeric SMILES

CN1C=C(C=C1C(=O)NCCC(=N)N)NC(=O)C2=CC(=CN2C)NC(=O)C3=CC(=NN3C)NC(=O)C4=CC(=NN4C)N(C(=O)C5=CC=CC=C5)N(CCCl)CCCl

InChI

InChI=1S/C36H42Cl2N14O5/c1-47-20-23(16-25(47)32(53)41-13-10-29(39)40)42-33(54)26-17-24(21-48(26)2)43-34(55)27-18-30(45-49(27)3)44-35(56)28-19-31(46-50(28)4)52(51(14-11-37)15-12-38)36(57)22-8-6-5-7-9-22/h5-9,16-21H,10-15H2,1-4H3,(H3,39,40)(H,41,53)(H,42,54)(H,43,55)(H,44,45,56)