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

Systemtic Name: 3-azanyl-1-(4-chlorophenyl)-8-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-amino-1-(4-chlorophenyl)-8-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-amino-1-(4-chlorophenyl)-8-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-amino-1-(4-chlorophenyl)-8-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-amino-1-(4-chlorophenyl)-8-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(C(=NC(=C12)C3=CC=C(C=C3)Cl)N)C#N

Isomeric SMILES

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

InChI

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