methyl 4-[2-(1-oxidanylidene-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)butanoylamino]benzoate

Systemtic Name: methyl 4-[2-(1-oxidanylidene-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)butanoylamino]benzoate Openeye Name: methyl 4-[2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)butanoylamino]benzoate CAS Name: 4-[[1-oxo-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)butyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)butanoylamino]benzoate Traditional Name: 4-[2-(1-keto-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)butanoylamino]benzoic acid methyl ester Formula: C26H27N3O4 MolecularWeight: 445.51028

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)C(=O)OC)N2C(=O)C3=C(CCCC3)C(=N2)C4=CC=CC=C4

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)C(=O)OC)N2C(=O)C3=C(CCCC3)C(=N2)C4=CC=CC=C4

InChI

InChI=1S/C26H27N3O4/c1-3-22(24(30)27-19-15-13-18(14-16-19)26(32)33-2)29-25(31)21-12-8-7-11-20(21)23(28-29)17-9-5-4-6-10-17/h4-6,9-10,13-16,22H,3,7-8,11-12H2,1-2H3,(H,27,30)