4-oxidanylidene-3-(phenylmethyl)-N-[1-[4-(propanoylamino)phenyl]ethyl]phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-3-(phenylmethyl)-N-[1-[4-(propanoylamino)phenyl]ethyl]phthalazine-1-carboxamide Openeye Name: 3-benzyl-4-oxo-N-[1-[4-(propanoylamino)phenyl]ethyl]phthalazine-1-carboxamide CAS Name: 4-oxo-N-[1-[4-(1-oxopropylamino)phenyl]ethyl]-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-4-oxo-N-[1-[4-(propanoylamino)phenyl]ethyl]phthalazine-1-carboxamide Traditional Name: 3-benzyl-4-keto-N-[1-(4-propionamidophenyl)ethyl]phthalazine-1-carboxamide Formula: C27H26N4O3 MolecularWeight: 454.52034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)C(C)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)C(C)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

InChI

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