4-(3-methylbutyliminomethyl)-2-phenyl-4H-isoquinoline-1,3-dione

Systemtic Name: 4-(3-methylbutyliminomethyl)-2-phenyl-4H-isoquinoline-1,3-dione Openeye Name: 4-(isopentyliminomethyl)-2-phenyl-4H-isoquinoline-1,3-dione CAS Name: 4-(3-methylbutyliminomethyl)-2-phenyl-4H-isoquinoline-1,3-dione IUPAC Name: 4-(3-methylbutyliminomethyl)-2-phenyl-4H-isoquinoline-1,3-dione Traditional Name: 4-(isoamyliminomethyl)-2-phenyl-4H-isoquinoline-1,3-quinone Formula: C21H22N2O2 MolecularWeight: 334.41158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN=CC1C2=CC=CC=C2C(=O)N(C1=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)CCN=CC1C2=CC=CC=C2C(=O)N(C1=O)C3=CC=CC=C3

InChI

InChI=1S/C21H22N2O2/c1-15(2)12-13-22-14-19-17-10-6-7-11-18(17)20(24)23(21(19)25)16-8-4-3-5-9-16/h3-11,14-15,19H,12-13H2,1-2H3