2-(azepan-1-yl)-4-(4-methoxyphenyl)-6-phenyl-pyridine-3-carbonitrile

Systemtic Name: 2-(azepan-1-yl)-4-(4-methoxyphenyl)-6-phenyl-pyridine-3-carbonitrile Openeye Name: 2-(azepan-1-yl)-4-(4-methoxyphenyl)-6-phenyl-pyridine-3-carbonitrile CAS Name: 2-(1-azepanyl)-4-(4-methoxyphenyl)-6-phenyl-3-pyridinecarbonitrile IUPAC Name: 2-(azepan-1-yl)-4-(4-methoxyphenyl)-6-phenylpyridine-3-carbonitrile Traditional Name: 2-(azepan-1-yl)-4-(4-methoxyphenyl)-6-phenyl-nicotinonitrile Formula: C25H25N3O MolecularWeight: 383.4855

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)N3CCCCCC3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)N3CCCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C25H25N3O/c1-29-21-13-11-19(12-14-21)22-17-24(20-9-5-4-6-10-20)27-25(23(22)18-26)28-15-7-2-3-8-16-28/h4-6,9-14,17H,2-3,7-8,15-16H2,1H3