N-[(2S)-2-(dimethylamino)-3-phenyl-propyl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-[(2S)-2-(dimethylamino)-3-phenyl-propyl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-[(2S)-2-(dimethylamino)-3-phenyl-propyl]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-N-[(2S)-2-(dimethylamino)-3-phenyl-propyl]-4-keto-phthalazine-1-carboxamide Formula: C27H28N4O2 MolecularWeight: 440.53682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CC1=CC=CC=C1)CNC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

CN(C)[C@@H](CC1=CC=CC=C1)CNC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C27H28N4O2/c1-30(2)22(17-20-11-5-3-6-12-20)18-28-26(32)25-23-15-9-10-16-24(23)27(33)31(29-25)19-21-13-7-4-8-14-21/h3-16,22H,17-19H2,1-2H3,(H,28,32)/t22-/m0/s1