2-(4-methoxyphenyl)carbonyl-1-(phenylmethyl)isoquinoline-1-carbonitrile

Systemtic Name: 2-(4-methoxyphenyl)carbonyl-1-(phenylmethyl)isoquinoline-1-carbonitrile Openeye Name: 1-benzyl-2-(4-methoxybenzoyl)isoquinoline-1-carbonitrile CAS Name: 2-[(4-methoxyphenyl)-oxomethyl]-1-(phenylmethyl)-1-isoquinolinecarbonitrile IUPAC Name: 1-benzyl-2-(4-methoxybenzoyl)isoquinoline-1-carbonitrile Traditional Name: 1-benzyl-2-p-anisoyl-isoquinoline-1-carbonitrile Formula: C25H20N2O2 MolecularWeight: 380.4385

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N2C=CC3=CC=CC=C3C2(CC4=CC=CC=C4)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N2C=CC3=CC=CC=C3C2(CC4=CC=CC=C4)C#N

InChI

InChI=1S/C25H20N2O2/c1-29-22-13-11-21(12-14-22)24(28)27-16-15-20-9-5-6-10-23(20)25(27,18-26)17-19-7-3-2-4-8-19/h2-16H,17H2,1H3