N-[3-[1-[3-(azepan-1-yl)-3-oxidanylidene-propyl]benzimidazol-2-yl]propyl]pyridine-4-carboxamide

Systemtic Name: N-[3-[1-[3-(azepan-1-yl)-3-oxidanylidene-propyl]benzimidazol-2-yl]propyl]pyridine-4-carboxamide Openeye Name: N-[3-[1-[3-(azepan-1-yl)-3-oxo-propyl]benzimidazol-2-yl]propyl]pyridine-4-carboxamide CAS Name: N-[3-[1-[3-(1-azepanyl)-3-oxopropyl]-2-benzimidazolyl]propyl]-4-pyridinecarboxamide IUPAC Name: N-[3-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]propyl]pyridine-4-carboxamide Traditional Name: N-[3-[1-[3-(azepan-1-yl)-3-keto-propyl]benzimidazol-2-yl]propyl]isonicotinamide 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=CC=NC=C4

Isomeric SMILES

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

InChI

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