2-[(2-chlorophenyl)methyl]-4-(4-phenylpiperidin-1-yl)carbonyl-phthalazin-1-one

Systemtic Name: 2-[(2-chlorophenyl)methyl]-4-(4-phenylpiperidin-1-yl)carbonyl-phthalazin-1-one Openeye Name: 2-[(2-chlorophenyl)methyl]-4-(4-phenylpiperidine-1-carbonyl)phthalazin-1-one CAS Name: 2-[(2-chlorophenyl)methyl]-4-[oxo-(4-phenyl-1-piperidinyl)methyl]-1-phthalazinone IUPAC Name: 2-[(2-chlorophenyl)methyl]-4-(4-phenylpiperidine-1-carbonyl)phthalazin-1-one Traditional Name: 2-(2-chlorobenzyl)-4-(4-phenylpiperidine-1-carbonyl)phthalazin-1-one Formula: C27H24ClN3O2 MolecularWeight: 457.95136

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC=CC=C2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5Cl

Isomeric SMILES

C1CN(CCC1C2=CC=CC=C2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5Cl

InChI

InChI=1S/C27H24ClN3O2/c28-24-13-7-4-10-21(24)18-31-26(32)23-12-6-5-11-22(23)25(29-31)27(33)30-16-14-20(15-17-30)19-8-2-1-3-9-19/h1-13,20H,14-18H2