N-methyl-4-oxidanylidene-3-[2-oxidanylidene-2-[phenethyl-(phenylmethyl)amino]ethyl]phthalazine-1-carboxamide

Systemtic Name: N-methyl-4-oxidanylidene-3-[2-oxidanylidene-2-[phenethyl-(phenylmethyl)amino]ethyl]phthalazine-1-carboxamide Openeye Name: 3-[2-[benzyl(phenethyl)amino]-2-oxo-ethyl]-N-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-methyl-4-oxo-3-[2-oxo-2-[phenethyl-(phenylmethyl)amino]ethyl]-1-phthalazinecarboxamide IUPAC Name: 3-[2-[benzyl(phenethyl)amino]-2-oxoethyl]-N-methyl-4-oxophthalazine-1-carboxamide Traditional Name: 3-[2-[benzyl(phenethyl)amino]-2-keto-ethyl]-4-keto-N-methyl-phthalazine-1-carboxamide Formula: C27H26N4O3 MolecularWeight: 454.52034

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC(=O)N(CCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC(=O)N(CCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C27H26N4O3/c1-28-26(33)25-22-14-8-9-15-23(22)27(34)31(29-25)19-24(32)30(18-21-12-6-3-7-13-21)17-16-20-10-4-2-5-11-20/h2-15H,16-19H2,1H3,(H,28,33)