N-[3-[1-[3-(azepan-1-yl)-3-oxidanylidene-propyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide

Systemtic Name: N-[3-[1-[3-(azepan-1-yl)-3-oxidanylidene-propyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide Openeye Name: N-[3-[1-[3-(azepan-1-yl)-3-oxo-propyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide CAS Name: N-[3-[1-[3-(1-azepanyl)-3-oxopropyl]-2-benzimidazolyl]propyl]-3-pyridinecarboxamide IUPAC Name: N-[3-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide Traditional Name: N-[3-[1-[3-(azepan-1-yl)-3-keto-propyl]benzimidazol-2-yl]propyl]nicotinamide Formula: C25H31N5O2 MolecularWeight: 433.54594

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CCN2C3=CC=CC=C3N=C2CCCNC(=O)C4=CN=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)CCN2C3=CC=CC=C3N=C2CCCNC(=O)C4=CN=CC=C4

InChI

InChI=1S/C25H31N5O2/c31-24(29-16-5-1-2-6-17-29)13-18-30-22-11-4-3-10-21(22)28-23(30)12-8-15-27-25(32)20-9-7-14-26-19-20/h3-4,7,9-11,14,19H,1-2,5-6,8,12-13,15-18H2,(H,27,32)