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

Systemtic Name: N-[5-[[5-[[5-[(3-azanyl-3-azanylidene-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-5-[bis(2-chloroethyl)amino-(phenylcarbonyl)amino]-2-methyl-pyrazole-3-carboxamide Openeye Name: N-[5-[[5-[[5-[(3-amino-3-imino-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-5-[benzoyl-[bis(2-chloroethyl)amino]amino]-2-methyl-pyrazole-3-carboxamide CAS Name: N-[5-[[[5-[[[5-[[(3-amino-3-iminopropyl)amino]-oxomethyl]-1-methyl-3-pyrrolyl]amino]-oxomethyl]-1-methyl-3-pyrrolyl]amino]-oxomethyl]-1-methyl-3-pyrrolyl]-5-[benzoyl-[bis(2-chloroethyl)amino]amino]-2-methyl-3-pyrazolecarboxamide IUPAC Name: N-[5-[[5-[[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-5-[benzoyl-[bis(2-chloroethyl)amino]amino]-2-methylpyrazole-3-carboxamide Traditional Name: N-[5-[[5-[[5-[(3-amino-3-imino-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-5-[benzoyl-[bis(2-chloroethyl)amino]amino]-2-methyl-pyrazole-3-carboxamide Formula: C37H43Cl2N13O5 MolecularWeight: 820.72742

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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(=CN3C)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(=CN3C)NC(=O)C4=CC(=NN4C)N(C(=O)C5=CC=CC=C5)N(CCCl)CCCl

InChI

InChI=1S/C37H43Cl2N13O5/c1-47-20-24(16-27(47)33(53)42-13-10-31(40)41)43-34(54)28-17-25(21-48(28)2)44-35(55)29-18-26(22-49(29)3)45-36(56)30-19-32(46-50(30)4)52(51(14-11-38)15-12-39)37(57)23-8-6-5-7-9-23/h5-9,16-22H,10-15H2,1-4H3,(H3,40,41)(H,42,53)(H,43,54)(H,44,55)(H,45,56)