4-[1-(phenylmethyl)piperidin-4-yl]-1-pyridin-4-yl-butan-1-one

Systemtic Name: 4-[1-(phenylmethyl)piperidin-4-yl]-1-pyridin-4-yl-butan-1-one Openeye Name: 4-(1-benzyl-4-piperidyl)-1-(4-pyridyl)butan-1-one CAS Name: 4-[1-(phenylmethyl)-4-piperidinyl]-1-pyridin-4-yl-1-butanone IUPAC Name: 4-(1-benzylpiperidin-4-yl)-1-pyridin-4-ylbutan-1-one Traditional Name: 4-(1-benzyl-4-piperidyl)-1-(4-pyridyl)butan-1-one Formula: C21H26N2O MolecularWeight: 322.44394

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CCCC(=O)C2=CC=NC=C2)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1CCCC(=O)C2=CC=NC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O/c24-21(20-9-13-22-14-10-20)8-4-7-18-11-15-23(16-12-18)17-19-5-2-1-3-6-19/h1-3,5-6,9-10,13-14,18H,4,7-8,11-12,15-17H2