N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-[1-(2,2-dimethylpropanoyl)-4-piperidyl]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[1-(2,2-dimethyl-1-oxopropyl)-4-piperidinyl]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-4-keto-N-(1-pivaloyl-4-piperidyl)phthalazine-1-carboxamide Formula: C26H30N4O3 MolecularWeight: 446.5414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N1CCC(CC1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C(=O)N1CCC(CC1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C26H30N4O3/c1-26(2,3)25(33)29-15-13-19(14-16-29)27-23(31)22-20-11-7-8-12-21(20)24(32)30(28-22)17-18-9-5-4-6-10-18/h4-12,19H,13-17H2,1-3H3,(H,27,31)