4-[[4-[bis(2-chloroethyl)amino]phenyl]carbonylamino]-N-[5-[[5-[3-(dimethylamino)propylcarbamoyl]-1H-pyrrol-3-yl]carbamoyl]-1H-pyrrol-3-yl]-1H-pyrrole-2-carboxamide

Systemtic Name: 4-[[4-[bis(2-chloroethyl)amino]phenyl]carbonylamino]-N-[5-[[5-[3-(dimethylamino)propylcarbamoyl]-1H-pyrrol-3-yl]carbamoyl]-1H-pyrrol-3-yl]-1H-pyrrole-2-carboxamide Openeye Name: 4-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]-N-[5-[[5-[3-(dimethylamino)propylcarbamoyl]-1H-pyrrol-3-yl]carbamoyl]-1H-pyrrol-3-yl]-1H-pyrrole-2-carboxamide CAS Name: 4-[[[4-[bis(2-chloroethyl)amino]phenyl]-oxomethyl]amino]-N-[5-[[[5-[[3-(dimethylamino)propylamino]-oxomethyl]-1H-pyrrol-3-yl]amino]-oxomethyl]-1H-pyrrol-3-yl]-1H-pyrrole-2-carboxamide IUPAC Name: 4-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]-N-[5-[[5-[3-(dimethylamino)propylcarbamoyl]-1H-pyrrol-3-yl]carbamoyl]-1H-pyrrol-3-yl]-1H-pyrrole-2-carboxamide Traditional Name: 4-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]-N-[5-[[5-[3-(dimethylamino)propylcarbamoyl]-1H-pyrrol-3-yl]carbamoyl]-1H-pyrrol-3-yl]-1H-pyrrole-2-carboxamide Formula: C31H37Cl2N9O4 MolecularWeight: 670.58938

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNC(=O)C1=CC(=CN1)NC(=O)C2=CC(=CN2)NC(=O)C3=CC(=CN3)NC(=O)C4=CC=C(C=C4)N(CCCl)CCCl

Isomeric SMILES

CN(C)CCCNC(=O)C1=CC(=CN1)NC(=O)C2=CC(=CN2)NC(=O)C3=CC(=CN3)NC(=O)C4=CC=C(C=C4)N(CCCl)CCCl

InChI

InChI=1S/C31H37Cl2N9O4/c1-41(2)11-3-10-34-29(44)25-14-22(18-35-25)39-31(46)27-16-23(19-37-27)40-30(45)26-15-21(17-36-26)38-28(43)20-4-6-24(7-5-20)42(12-8-32)13-9-33/h4-7,14-19,35-37H,3,8-13H2,1-2H3,(H,34,44)(H,38,43)(H,39,46)(H,40,45)