N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide

Systemtic Name: N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide Openeye Name: N-[1-[(4-chlorophenyl)methyl]-4-piperidyl]-4-oxo-3-phenyl-phthalazine-1-carboxamide CAS Name: N-[1-[(4-chlorophenyl)methyl]-4-piperidinyl]-4-oxo-3-phenyl-1-phthalazinecarboxamide IUPAC Name: N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-oxo-3-phenylphthalazine-1-carboxamide Traditional Name: N-[1-(4-chlorobenzyl)-4-piperidyl]-4-keto-3-phenyl-phthalazine-1-carboxamide Formula: C27H25ClN4O2 MolecularWeight: 472.966

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4)CC5=CC=C(C=C5)Cl

Isomeric SMILES

C1CN(CCC1NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4)CC5=CC=C(C=C5)Cl

InChI

InChI=1S/C27H25ClN4O2/c28-20-12-10-19(11-13-20)18-31-16-14-21(15-17-31)29-26(33)25-23-8-4-5-9-24(23)27(34)32(30-25)22-6-2-1-3-7-22/h1-13,21H,14-18H2,(H,29,33)