6-[[4-[[4-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-N-[3-(dimethylamino)propyl]-1H-indole-2-carboxamide

Systemtic Name: 6-[[4-[[4-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-N-[3-(dimethylamino)propyl]-1H-indole-2-carboxamide Openeye Name: 6-[[4-[[4-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoylamino]-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-pyrrole-2-carbonyl]amino]-N-[3-(dimethylamino)propyl]-1H-indole-2-carboxamide CAS Name: 6-[[[4-[[[4-[[4-[4-[bis(2-chloroethyl)amino]phenyl]-1-oxobutyl]amino]-1-methyl-2-pyrrolyl]-oxomethyl]amino]-1-methyl-2-pyrrolyl]-oxomethyl]amino]-N-[3-(dimethylamino)propyl]-1H-indole-2-carboxamide IUPAC Name: 6-[[4-[[4-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-N-[3-(dimethylamino)propyl]-1H-indole-2-carboxamide Traditional Name: 6-[[4-[[4-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoylamino]-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-pyrrole-2-carbonyl]amino]-N-[3-(dimethylamino)propyl]-1H-indole-2-carboxamide Formula: C40H49Cl2N9O4 MolecularWeight: 790.78096

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NC3=CC4=C(C=C3)C=C(N4)C(=O)NCCCN(C)C)C)NC(=O)CCCC5=CC=C(C=C5)N(CCCl)CCCl

Isomeric SMILES

CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NC3=CC4=C(C=C3)C=C(N4)C(=O)NCCCN(C)C)C)NC(=O)CCCC5=CC=C(C=C5)N(CCCl)CCCl

InChI

InChI=1S/C40H49Cl2N9O4/c1-48(2)18-6-17-43-38(53)34-21-28-11-12-29(22-33(28)47-34)45-39(54)36-24-31(26-50(36)4)46-40(55)35-23-30(25-49(35)3)44-37(52)8-5-7-27-9-13-32(14-10-27)51(19-15-41)20-16-42/h9-14,21-26,47H,5-8,15-20H2,1-4H3,(H,43,53)(H,44,52)(H,45,54)(H,46,55)