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

Systemtic Name: 3-azanyl-1-(4-chlorophenyl)-5-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-amino-1-(4-chlorophenyl)-5-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-amino-1-(4-chlorophenyl)-5-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-amino-1-(4-chlorophenyl)-5-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-amino-1-(4-chlorophenyl)-5-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C17H16ClN3 MolecularWeight: 297.78204

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC2=C(N=C(C(=C12)C#N)N)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1CCCC2=C(N=C(C(=C12)C#N)N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H16ClN3/c1-10-3-2-4-13-15(10)14(9-19)17(20)21-16(13)11-5-7-12(18)8-6-11/h5-8,10H,2-4H2,1H3,(H2,20,21)