N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[(1R)-1-(4-chlorophenyl)ethyl]-3-isobutyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(2-methylpropyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide Traditional Name: N-[(1R)-1-(4-chlorophenyl)ethyl]-3-isobutyl-4-keto-phthalazine-1-carboxamide Formula: C21H22ClN3O2 MolecularWeight: 383.87128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC(C)C3=CC=C(C=C3)Cl

Isomeric SMILES

C[C@H](C1=CC=C(C=C1)Cl)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC(C)C

InChI

InChI=1S/C21H22ClN3O2/c1-13(2)12-25-21(27)18-7-5-4-6-17(18)19(24-25)20(26)23-14(3)15-8-10-16(22)11-9-15/h4-11,13-14H,12H2,1-3H3,(H,23,26)/t14-/m1/s1