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

Systemtic Name: 6-azanyl-8-(4-tert-butylphenyl)-2-propyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Openeye Name: 6-amino-8-(4-tert-butylphenyl)-2-propyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile CAS Name: 6-amino-8-(4-tert-butylphenyl)-2-propyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile IUPAC Name: 6-amino-8-(4-tert-butylphenyl)-2-propyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Traditional Name: 6-amino-8-(4-tert-butylphenyl)-2-propyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Formula: C25H29N5 MolecularWeight: 399.53126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N5/c1-5-11-30-12-10-19-20(13-26)23(29)25(15-27,16-28)22(21(19)14-30)17-6-8-18(9-7-17)24(2,3)4/h6-10,21-22H,5,11-12,14,29H2,1-4H3