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

Systemtic Name: N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[1-[(4-chlorophenyl)methyl]-4-piperidyl]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[1-[(4-chlorophenyl)methyl]-4-piperidinyl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-[1-(4-chlorobenzyl)-4-piperidyl]-4-keto-3H-phthalazine-1-carboxamide Formula: C21H21ClN4O2 MolecularWeight: 396.87004

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)C2=NNC(=O)C3=CC=CC=C32)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCC1NC(=O)C2=NNC(=O)C3=CC=CC=C32)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H21ClN4O2/c22-15-7-5-14(6-8-15)13-26-11-9-16(10-12-26)23-21(28)19-17-3-1-2-4-18(17)20(27)25-24-19/h1-8,16H,9-13H2,(H,23,28)(H,25,27)