N-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-3-phenyl-N-propyl-phthalazine-1-carboxamide

Systemtic Name: N-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-3-phenyl-N-propyl-phthalazine-1-carboxamide Openeye Name: N-[2-(2-methylanilino)-2-oxo-ethyl]-4-oxo-3-phenyl-N-propyl-phthalazine-1-carboxamide CAS Name: N-[2-(2-methylanilino)-2-oxoethyl]-4-oxo-3-phenyl-N-propyl-1-phthalazinecarboxamide IUPAC Name: N-[2-(2-methylanilino)-2-oxoethyl]-4-oxo-3-phenyl-N-propylphthalazine-1-carboxamide Traditional Name: 4-keto-N-[2-keto-2-(o-toluidino)ethyl]-3-phenyl-N-propyl-phthalazine-1-carboxamide Formula: C27H26N4O3 MolecularWeight: 454.52034

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C27H26N4O3/c1-3-17-30(18-24(32)28-23-16-10-7-11-19(23)2)27(34)25-21-14-8-9-15-22(21)26(33)31(29-25)20-12-5-4-6-13-20/h4-16H,3,17-18H2,1-2H3,(H,28,32)