(1S)-2-(4-chlorophenyl)carbonyl-1H-isoquinoline-1-carbonitrile

Systemtic Name: (1S)-2-(4-chlorophenyl)carbonyl-1H-isoquinoline-1-carbonitrile Openeye Name: (1S)-2-(4-chlorobenzoyl)-1H-isoquinoline-1-carbonitrile CAS Name: (1S)-2-[(4-chlorophenyl)-oxomethyl]-1H-isoquinoline-1-carbonitrile IUPAC Name: (1S)-2-(4-chlorobenzoyl)-1H-isoquinoline-1-carbonitrile Traditional Name: (1S)-2-(4-chlorobenzoyl)-1H-isoquinoline-1-carbonitrile Formula: C17H11ClN2O MolecularWeight: 294.73504

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(N(C=CC2=C1)C(=O)C3=CC=C(C=C3)Cl)C#N

Isomeric SMILES

C1=CC=C2[C@H](N(C=CC2=C1)C(=O)C3=CC=C(C=C3)Cl)C#N

InChI

InChI=1S/C17H11ClN2O/c18-14-7-5-13(6-8-14)17(21)20-10-9-12-3-1-2-4-15(12)16(20)11-19/h1-10,16H/t16-/m1/s1