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

Systemtic Name: 6-azanyl-2,8-bis(phenylmethyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Openeye Name: 6-amino-2,8-dibenzyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile CAS Name: 6-amino-2,8-bis(phenylmethyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile IUPAC Name: 6-amino-2,8-dibenzyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Traditional Name: 6-amino-2,8-dibenzyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Formula: C26H23N5 MolecularWeight: 405.49432

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C2C(CN1CC3=CC=CC=C3)C(C(C(=C2C#N)N)(C#N)C#N)CC4=CC=CC=C4

Isomeric SMILES

C1C=C2C(CN1CC3=CC=CC=C3)C(C(C(=C2C#N)N)(C#N)C#N)CC4=CC=CC=C4

InChI

InChI=1S/C26H23N5/c27-14-22-21-11-12-31(15-20-9-5-2-6-10-20)16-23(21)24(13-19-7-3-1-4-8-19)26(17-28,18-29)25(22)30/h1-11,23-24H,12-13,15-16,30H2