2-(2-methylpropanoyl)-1-(phenylmethyl)isoquinoline-1-carbonitrile

Systemtic Name: 2-(2-methylpropanoyl)-1-(phenylmethyl)isoquinoline-1-carbonitrile Openeye Name: 1-benzyl-2-(2-methylpropanoyl)isoquinoline-1-carbonitrile CAS Name: 2-(2-methyl-1-oxopropyl)-1-(phenylmethyl)-1-isoquinolinecarbonitrile IUPAC Name: 1-benzyl-2-(2-methylpropanoyl)isoquinoline-1-carbonitrile Traditional Name: 1-benzyl-2-isobutyryl-isoquinoline-1-carbonitrile Formula: C21H20N2O MolecularWeight: 316.3963

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1C=CC2=CC=CC=C2C1(CC3=CC=CC=C3)C#N

Isomeric SMILES

CC(C)C(=O)N1C=CC2=CC=CC=C2C1(CC3=CC=CC=C3)C#N

InChI

InChI=1S/C21H20N2O/c1-16(2)20(24)23-13-12-18-10-6-7-11-19(18)21(23,15-22)14-17-8-4-3-5-9-17/h3-13,16H,14H2,1-2H3