N-[6-(azepan-1-yl)pyridin-3-yl]-3-(4-cyanophenyl)-4-methoxy-benzamide

Systemtic Name: N-[6-(azepan-1-yl)pyridin-3-yl]-3-(4-cyanophenyl)-4-methoxy-benzamide Openeye Name: N-[6-(azepan-1-yl)-3-pyridyl]-3-(4-cyanophenyl)-4-methoxy-benzamide CAS Name: N-[6-(1-azepanyl)-3-pyridinyl]-3-(4-cyanophenyl)-4-methoxybenzamide IUPAC Name: N-[6-(azepan-1-yl)pyridin-3-yl]-3-(4-cyanophenyl)-4-methoxybenzamide Traditional Name: N-[6-(azepan-1-yl)-3-pyridyl]-3-(4-cyanophenyl)-4-methoxy-benzamide Formula: C26H26N4O2 MolecularWeight: 426.51024

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=CN=C(C=C2)N3CCCCCC3)C4=CC=C(C=C4)C#N

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CN=C(C=C2)N3CCCCCC3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C26H26N4O2/c1-32-24-12-10-21(16-23(24)20-8-6-19(17-27)7-9-20)26(31)29-22-11-13-25(28-18-22)30-14-4-2-3-5-15-30/h6-13,16,18H,2-5,14-15H2,1H3,(H,29,31)