N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-[4-[(3,5-dimethyl-1-piperidyl)sulfonyl]phenyl]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[4-[(3,5-dimethyl-1-piperidinyl)sulfonyl]phenyl]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-N-[4-(3,5-dimethylpiperidino)sulfonylphenyl]-4-keto-phthalazine-1-carboxamide Formula: C29H30N4O4S MolecularWeight: 530.6379

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5)C

InChI

InChI=1S/C29H30N4O4S/c1-20-16-21(2)18-32(17-20)38(36,37)24-14-12-23(13-15-24)30-28(34)27-25-10-6-7-11-26(25)29(35)33(31-27)19-22-8-4-3-5-9-22/h3-15,20-21H,16-19H2,1-2H3,(H,30,34)