5-azanyl-8-(4-chlorophenyl)-2-propyl-1,3,8,8a-tetrahydroisoquinoline-6,7,7-tricarbonitrile

Systemtic Name: 5-azanyl-8-(4-chlorophenyl)-2-propyl-1,3,8,8a-tetrahydroisoquinoline-6,7,7-tricarbonitrile Openeye Name: 5-amino-8-(4-chlorophenyl)-2-propyl-1,3,8,8a-tetrahydroisoquinoline-6,7,7-tricarbonitrile CAS Name: 5-amino-8-(4-chlorophenyl)-2-propyl-1,3,8,8a-tetrahydroisoquinoline-6,7,7-tricarbonitrile IUPAC Name: 5-amino-8-(4-chlorophenyl)-2-propyl-1,3,8,8a-tetrahydroisoquinoline-6,7,7-tricarbonitrile Traditional Name: 5-amino-8-(4-chlorophenyl)-2-propyl-1,3,8,8a-tetrahydroisoquinoline-6,7,7-tricarbonitrile Formula: C21H20ClN5 MolecularWeight: 377.87

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CC=C2C(C1)C(C(C(=C2N)C#N)(C#N)C#N)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCN1CC=C2C(C1)C(C(C(=C2N)C#N)(C#N)C#N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H20ClN5/c1-2-8-27-9-7-16-17(11-27)19(14-3-5-15(22)6-4-14)21(12-24,13-25)18(10-23)20(16)26/h3-7,17,19H,2,8-9,11,26H2,1H3