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

Systemtic Name: 6-azanyl-8-(4-ethylphenyl)-2-(phenylmethyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Openeye Name: 6-amino-2-benzyl-8-(4-ethylphenyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile CAS Name: 6-amino-8-(4-ethylphenyl)-2-(phenylmethyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile IUPAC Name: 6-amino-2-benzyl-8-(4-ethylphenyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Traditional Name: 6-amino-2-benzyl-8-(4-ethylphenyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Formula: C27H25N5 MolecularWeight: 419.5209

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2C3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)CC4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)C2C3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)CC4=CC=CC=C4

InChI

InChI=1S/C27H25N5/c1-2-19-8-10-21(11-9-19)25-24-16-32(15-20-6-4-3-5-7-20)13-12-22(24)23(14-28)26(31)27(25,17-29)18-30/h3-12,24-25H,2,13,15-16,31H2,1H3