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

Systemtic Name: 3-methyl-N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[(3S)-1-[(4-isobutylphenyl)methyl]-3-piperidyl]-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: 3-methyl-N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]-3-piperidinyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-methyl-N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-4-oxophthalazine-1-carboxamide Traditional Name: N-[(3S)-1-(4-isobutylbenzyl)-3-piperidyl]-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C26H32N4O2 MolecularWeight: 432.55788

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)CN2CCCC(C2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)CN2CCC[C@@H](C2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C

InChI

InChI=1S/C26H32N4O2/c1-18(2)15-19-10-12-20(13-11-19)16-30-14-6-7-21(17-30)27-25(31)24-22-8-4-5-9-23(22)26(32)29(3)28-24/h4-5,8-13,18,21H,6-7,14-17H2,1-3H3,(H,27,31)/t21-/m0/s1