1-[[4-(phenylmethyl)piperidin-1-yl]methyl]cinnolin-4-one

Systemtic Name: 1-[[4-(phenylmethyl)piperidin-1-yl]methyl]cinnolin-4-one Openeye Name: 1-[(4-benzyl-1-piperidyl)methyl]cinnolin-4-one CAS Name: 1-[[4-(phenylmethyl)-1-piperidinyl]methyl]-4-cinnolinone IUPAC Name: 1-[(4-benzylpiperidin-1-yl)methyl]cinnolin-4-one Traditional Name: 1-[(4-benzylpiperidino)methyl]cinnolin-4-one Formula: C21H23N3O MolecularWeight: 333.42682

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)CN3C4=CC=CC=C4C(=O)C=N3

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)CN3C4=CC=CC=C4C(=O)C=N3

InChI

InChI=1S/C21H23N3O/c25-21-15-22-24(20-9-5-4-8-19(20)21)16-23-12-10-18(11-13-23)14-17-6-2-1-3-7-17/h1-9,15,18H,10-14,16H2