N-[5-[(3-azanyl-3-azanylidene-propyl)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-[(3-azanyl-3-azanylidene-propyl)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-[(3-amino-3-imino-propyl)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-[[(3-amino-3-iminopropyl)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-[(3-amino-3-iminopropyl)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-[(3-amino-3-imino-propyl)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: C30H36Cl2N12O4 MolecularWeight: 699.59084

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NCCC(=N)N)NC(=O)C2=CC(=NN2C)NC(=O)C3=CC(=NN3C)N(C(=O)C4=CC=CC=C4)N(CCCl)CCCl

Isomeric SMILES

CN1C=C(C=C1C(=O)NCCC(=N)N)NC(=O)C2=CC(=NN2C)NC(=O)C3=CC(=NN3C)N(C(=O)C4=CC=CC=C4)N(CCCl)CCCl

InChI

InChI=1S/C30H36Cl2N12O4/c1-40-18-20(15-21(40)27(45)35-12-9-24(33)34)36-28(46)22-16-25(38-41(22)2)37-29(47)23-17-26(39-42(23)3)44(43(13-10-31)14-11-32)30(48)19-7-5-4-6-8-19/h4-8,15-18H,9-14H2,1-3H3,(H3,33,34)(H,35,45)(H,36,46)(H,37,38,47)