N-[(1S,2S)-2-methylcyclohexyl]-3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[(1S,2S)-2-methylcyclohexyl]-3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-isobutyl-N-[(1S,2S)-2-methylcyclohexyl]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(1S,2S)-2-methylcyclohexyl]-3-(2-methylpropyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[(1S,2S)-2-methylcyclohexyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-isobutyl-4-keto-N-[(1S,2S)-2-methylcyclohexyl]phthalazine-1-carboxamide Formula: C20H27N3O2 MolecularWeight: 341.44728

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC(C)C

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC(C)C

InChI

InChI=1S/C20H27N3O2/c1-13(2)12-23-20(25)16-10-6-5-9-15(16)18(22-23)19(24)21-17-11-7-4-8-14(17)3/h5-6,9-10,13-14,17H,4,7-8,11-12H2,1-3H3,(H,21,24)/t14-,17-/m0/s1