3-azanyl-2-(4-chlorophenyl)-1-oxidanylidene-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Systemtic Name: 3-azanyl-2-(4-chlorophenyl)-1-oxidanylidene-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-amino-2-(4-chlorophenyl)-1-oxo-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-amino-2-(4-chlorophenyl)-1-oxo-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-amino-2-(4-chlorophenyl)-1-oxo-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-amino-2-(4-chlorophenyl)-1-keto-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C16H14ClN3O MolecularWeight: 299.75486

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(N(C2=O)C3=CC=C(C=C3)Cl)N)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(N(C2=O)C3=CC=C(C=C3)Cl)N)C#N

InChI

InChI=1S/C16H14ClN3O/c17-10-5-7-11(8-6-10)20-15(19)14(9-18)12-3-1-2-4-13(12)16(20)21/h5-8H,1-4,19H2