N-[(1S)-1-(2-methoxy-5-methyl-phenyl)ethyl]-3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[(1S)-1-(2-methoxy-5-methyl-phenyl)ethyl]-3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-isobutyl-N-[(1S)-1-(2-methoxy-5-methyl-phenyl)ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-3-(2-methylpropyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-isobutyl-4-keto-N-[(1S)-1-(2-methoxy-5-methyl-phenyl)ethyl]phthalazine-1-carboxamide Formula: C23H27N3O3 MolecularWeight: 393.47878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C(C)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)[C@H](C)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC(C)C

InChI

InChI=1S/C23H27N3O3/c1-14(2)13-26-23(28)18-9-7-6-8-17(18)21(25-26)22(27)24-16(4)19-12-15(3)10-11-20(19)29-5/h6-12,14,16H,13H2,1-5H3,(H,24,27)/t16-/m0/s1