4-(4-chlorophenyl)-2-[3-oxidanylidene-3-[4-(phenylmethyl)piperidin-1-yl]propyl]phthalazin-1-one

Systemtic Name: 4-(4-chlorophenyl)-2-[3-oxidanylidene-3-[4-(phenylmethyl)piperidin-1-yl]propyl]phthalazin-1-one Openeye Name: 2-[3-(4-benzyl-1-piperidyl)-3-oxo-propyl]-4-(4-chlorophenyl)phthalazin-1-one CAS Name: 4-(4-chlorophenyl)-2-[3-oxo-3-[4-(phenylmethyl)-1-piperidinyl]propyl]-1-phthalazinone IUPAC Name: 2-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-4-(4-chlorophenyl)phthalazin-1-one Traditional Name: 2-[3-(4-benzylpiperidino)-3-keto-propyl]-4-(4-chlorophenyl)phthalazin-1-one Formula: C29H28ClN3O2 MolecularWeight: 486.00452

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)CCN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)CCN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C29H28ClN3O2/c30-24-12-10-23(11-13-24)28-25-8-4-5-9-26(25)29(35)33(31-28)19-16-27(34)32-17-14-22(15-18-32)20-21-6-2-1-3-7-21/h1-13,22H,14-20H2