N-(2-methyl-4-pyrrolidin-1-yl-phenyl)-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-(2-methyl-4-pyrrolidin-1-yl-phenyl)-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-(2-methyl-4-pyrrolidin-1-yl-phenyl)-4-oxo-phthalazine-1-carboxamide CAS Name: N-[2-methyl-4-(1-pyrrolidinyl)phenyl]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-4-keto-N-(2-methyl-4-pyrrolidino-phenyl)phthalazine-1-carboxamide Formula: C27H26N4O2 MolecularWeight: 438.52094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C27H26N4O2/c1-19-17-21(30-15-7-8-16-30)13-14-24(19)28-26(32)25-22-11-5-6-12-23(22)27(33)31(29-25)18-20-9-3-2-4-10-20/h2-6,9-14,17H,7-8,15-16,18H2,1H3,(H,28,32)