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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)CCCNC2=NC=C(C=C2)C3=NC4=C(C=CC=C4N3)C(=O)N

Isomeric SMILES

CN1CCCN(CC1)CCCNC2=NC=C(C=C2)C3=NC4=C(C=CC=C4N3)C(=O)N

InChI

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