N-(3-azanyl-3-azanylidene-propyl)-5-[[5-[[4-[bis(2-chloroethyl)amino-(phenylcarbonyl)amino]-1-methyl-pyrrol-2-yl]carbonylamino]-2-methyl-pyrazol-3-yl]carbonylamino]-2-methyl-pyrazole-3-carboxamide hydrochloride

Systemtic Name: N-(3-azanyl-3-azanylidene-propyl)-5-[[5-[[4-[bis(2-chloroethyl)amino-(phenylcarbonyl)amino]-1-methyl-pyrrol-2-yl]carbonylamino]-2-methyl-pyrazol-3-yl]carbonylamino]-2-methyl-pyrazole-3-carboxamide hydrochloride Openeye Name: N-(3-amino-3-imino-propyl)-5-[[5-[[4-[benzoyl-[bis(2-chloroethyl)amino]amino]-1-methyl-pyrrole-2-carbonyl]amino]-2-methyl-pyrazole-3-carbonyl]amino]-2-methyl-pyrazole-3-carboxamide hydrochloride CAS Name: N-(3-amino-3-iminopropyl)-5-[[[5-[[[4-[benzoyl-[bis(2-chloroethyl)amino]amino]-1-methyl-2-pyrrolyl]-oxomethyl]amino]-2-methyl-3-pyrazolyl]-oxomethyl]amino]-2-methyl-3-pyrazolecarboxamide hydrochloride IUPAC Name: N-(3-amino-3-iminopropyl)-5-[[5-[[4-[benzoyl-[bis(2-chloroethyl)amino]amino]-1-methylpyrrole-2-carbonyl]amino]-2-methylpyrazole-3-carbonyl]amino]-2-methylpyrazole-3-carboxamide hydrochloride Traditional Name: N-(3-amino-3-imino-propyl)-5-[[5-[[4-[benzoyl-[bis(2-chloroethyl)amino]amino]-1-methyl-pyrrole-2-carbonyl]amino]-2-methyl-pyrazole-3-carbonyl]amino]-2-methyl-pyrazole-3-carboxamide hydrochloride Formula: C30H37Cl3N12O4 MolecularWeight: 736.05178

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NC2=NN(C(=C2)C(=O)NC3=NN(C(=C3)C(=O)NCCC(=N)N)C)C)N(C(=O)C4=CC=CC=C4)N(CCCl)CCCl.Cl

Isomeric SMILES

CN1C=C(C=C1C(=O)NC2=NN(C(=C2)C(=O)NC3=NN(C(=C3)C(=O)NCCC(=N)N)C)C)N(C(=O)C4=CC=CC=C4)N(CCCl)CCCl.Cl

InChI

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