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

Systemtic Name: 6-azanyl-2-butanoyl-8-(2,4-dichlorophenyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Openeye Name: 6-amino-2-butanoyl-8-(2,4-dichlorophenyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile CAS Name: 6-amino-8-(2,4-dichlorophenyl)-2-(1-oxobutyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile IUPAC Name: 6-amino-2-butanoyl-8-(2,4-dichlorophenyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Traditional Name: 6-amino-2-butyryl-8-(2,4-dichlorophenyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Formula: C22H19Cl2N5O MolecularWeight: 440.32516

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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=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H19Cl2N5O/c1-2-3-19(30)29-7-6-14-16(9-25)21(28)22(11-26,12-27)20(17(14)10-29)15-5-4-13(23)8-18(15)24/h4-6,8,17,20H,2-3,7,10,28H2,1H3