6-azanyl-2-butanoyl-8-phenyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile

Systemtic Name: 6-azanyl-2-butanoyl-8-phenyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Openeye Name: 6-amino-2-butanoyl-8-phenyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile CAS Name: 6-amino-2-(1-oxobutyl)-8-phenyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile IUPAC Name: 6-amino-2-butanoyl-8-phenyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Traditional Name: 6-amino-2-butyryl-8-phenyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Formula: C22H21N5O MolecularWeight: 371.43504

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC=CC=C3

Isomeric SMILES

CCCC(=O)N1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC=CC=C3

InChI

InChI=1S/C22H21N5O/c1-2-6-19(28)27-10-9-16-17(11-23)21(26)22(13-24,14-25)20(18(16)12-27)15-7-4-3-5-8-15/h3-5,7-9,18,20H,2,6,10,12,26H2,1H3