2-(4-chlorophenyl)carbonyl-3-methyl-1H-isoquinoline-1-carbonitrile

Systemtic Name: 2-(4-chlorophenyl)carbonyl-3-methyl-1H-isoquinoline-1-carbonitrile Openeye Name: 2-(4-chlorobenzoyl)-3-methyl-1H-isoquinoline-1-carbonitrile CAS Name: 2-[(4-chlorophenyl)-oxomethyl]-3-methyl-1H-isoquinoline-1-carbonitrile IUPAC Name: 2-(4-chlorobenzoyl)-3-methyl-1H-isoquinoline-1-carbonitrile Traditional Name: 2-(4-chlorobenzoyl)-3-methyl-1H-isoquinoline-1-carbonitrile Formula: C18H13ClN2O MolecularWeight: 308.76162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC=CC=C2C(N1C(=O)C3=CC=C(C=C3)Cl)C#N

Isomeric SMILES

CC1=CC2=CC=CC=C2C(N1C(=O)C3=CC=C(C=C3)Cl)C#N

InChI

InChI=1S/C18H13ClN2O/c1-12-10-14-4-2-3-5-16(14)17(11-20)21(12)18(22)13-6-8-15(19)9-7-13/h2-10,17H,1H3