N-[2-[(2S)-butan-2-yl]phenyl]-3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[2-[(2S)-butan-2-yl]phenyl]-3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-isobutyl-N-[2-[(1S)-1-methylpropyl]phenyl]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[2-[(2S)-butan-2-yl]phenyl]-3-(2-methylpropyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[2-[(2S)-butan-2-yl]phenyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-isobutyl-4-keto-N-[2-[(1S)-1-methylpropyl]phenyl]phthalazine-1-carboxamide Formula: C23H27N3O2 MolecularWeight: 377.47938

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC(C)C

Isomeric SMILES

CC[C@H](C)C1=CC=CC=C1NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC(C)C

InChI

InChI=1S/C23H27N3O2/c1-5-16(4)17-10-8-9-13-20(17)24-22(27)21-18-11-6-7-12-19(18)23(28)26(25-21)14-15(2)3/h6-13,15-16H,5,14H2,1-4H3,(H,24,27)/t16-/m0/s1