N-(3-azanyl-3-azanylidene-propyl)-2-[4-[2-[4-[bis(2-chloroethyl)amino]phenoxy]ethanoylamino]-1-methyl-pyrrol-2-yl]-3H-benzimidazole-5-carboxamide

Systemtic Name: N-(3-azanyl-3-azanylidene-propyl)-2-[4-[2-[4-[bis(2-chloroethyl)amino]phenoxy]ethanoylamino]-1-methyl-pyrrol-2-yl]-3H-benzimidazole-5-carboxamide Openeye Name: N-(3-amino-3-imino-propyl)-2-[4-[[2-[4-[bis(2-chloroethyl)amino]phenoxy]acetyl]amino]-1-methyl-pyrrol-2-yl]-3H-benzimidazole-5-carboxamide CAS Name: N-(3-amino-3-iminopropyl)-2-[4-[[2-[4-[bis(2-chloroethyl)amino]phenoxy]-1-oxoethyl]amino]-1-methyl-2-pyrrolyl]-3H-benzimidazole-5-carboxamide IUPAC Name: N-(3-amino-3-iminopropyl)-2-[4-[[2-[4-[bis(2-chloroethyl)amino]phenoxy]acetyl]amino]-1-methylpyrrol-2-yl]-3H-benzimidazole-5-carboxamide Traditional Name: N-(3-amino-3-imino-propyl)-2-[4-[[2-[4-[bis(2-chloroethyl)amino]phenoxy]acetyl]amino]-1-methyl-pyrrol-2-yl]-3H-benzimidazole-5-carboxamide Formula: C28H32Cl2N8O3 MolecularWeight: 599.51148

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C2=NC3=C(N2)C=C(C=C3)C(=O)NCCC(=N)N)NC(=O)COC4=CC=C(C=C4)N(CCCl)CCCl

Isomeric SMILES

CN1C=C(C=C1C2=NC3=C(N2)C=C(C=C3)C(=O)NCCC(=N)N)NC(=O)COC4=CC=C(C=C4)N(CCCl)CCCl

InChI

InChI=1S/C28H32Cl2N8O3/c1-37-16-19(34-26(39)17-41-21-5-3-20(4-6-21)38(12-9-29)13-10-30)15-24(37)27-35-22-7-2-18(14-23(22)36-27)28(40)33-11-8-25(31)32/h2-7,14-16H,8-13,17H2,1H3,(H3,31,32)(H,33,40)(H,34,39)(H,35,36)