2-[6-[3-(1,4-diazepan-1-yl)propyl-methyl-amino]pyridin-3-yl]-1H-benzimidazole-4-carboxamide

Systemtic Name: 2-[6-[3-(1,4-diazepan-1-yl)propyl-methyl-amino]pyridin-3-yl]-1H-benzimidazole-4-carboxamide Openeye Name: 2-[6-[3-(1,4-diazepan-1-yl)propyl-methyl-amino]-3-pyridyl]-1H-benzimidazole-4-carboxamide CAS Name: 2-[6-[3-(1,4-diazepan-1-yl)propyl-methylamino]-3-pyridinyl]-1H-benzimidazole-4-carboxamide IUPAC Name: 2-[6-[3-(1,4-diazepan-1-yl)propyl-methylamino]pyridin-3-yl]-1H-benzimidazole-4-carboxamide Traditional Name: 2-[6-[3-(1,4-diazepan-1-yl)propyl-methyl-amino]-3-pyridyl]-1H-benzimidazole-4-carboxamide Formula: C22H29N7O MolecularWeight: 407.51196

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCN1CCCNCC1)C2=NC=C(C=C2)C3=NC4=C(C=CC=C4N3)C(=O)N

Isomeric SMILES

CN(CCCN1CCCNCC1)C2=NC=C(C=C2)C3=NC4=C(C=CC=C4N3)C(=O)N

InChI

InChI=1S/C22H29N7O/c1-28(11-4-13-29-12-3-9-24-10-14-29)19-8-7-16(15-25-19)22-26-18-6-2-5-17(21(23)30)20(18)27-22/h2,5-8,15,24H,3-4,9-14H2,1H3,(H2,23,30)(H,26,27)