N-(3-methoxyphenyl)-4-[4-(phenylmethyl)piperidin-1-yl]phthalazine-1-carboxamide

Systemtic Name: N-(3-methoxyphenyl)-4-[4-(phenylmethyl)piperidin-1-yl]phthalazine-1-carboxamide Openeye Name: 4-(4-benzyl-1-piperidyl)-N-(3-methoxyphenyl)phthalazine-1-carboxamide CAS Name: N-(3-methoxyphenyl)-4-[4-(phenylmethyl)-1-piperidinyl]-1-phthalazinecarboxamide IUPAC Name: 4-(4-benzylpiperidin-1-yl)-N-(3-methoxyphenyl)phthalazine-1-carboxamide Traditional Name: 4-(4-benzylpiperidino)-N-(3-methoxyphenyl)phthalazine-1-carboxamide Formula: C28H28N4O2 MolecularWeight: 452.54752

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)C2=NN=C(C3=CC=CC=C32)N4CCC(CC4)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)C2=NN=C(C3=CC=CC=C32)N4CCC(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C28H28N4O2/c1-34-23-11-7-10-22(19-23)29-28(33)26-24-12-5-6-13-25(24)27(31-30-26)32-16-14-21(15-17-32)18-20-8-3-2-4-9-20/h2-13,19,21H,14-18H2,1H3,(H,29,33)