7-[[4-(phenylmethyl)piperidin-1-yl]methyl]-4-propan-2-yl-2-propoxy-cyclohepta-2,4,6-trien-1-one

Systemtic Name: 7-[[4-(phenylmethyl)piperidin-1-yl]methyl]-4-propan-2-yl-2-propoxy-cyclohepta-2,4,6-trien-1-one Openeye Name: 7-[(4-benzyl-1-piperidyl)methyl]-4-isopropyl-2-propoxy-cyclohepta-2,4,6-trien-1-one CAS Name: 7-[[4-(phenylmethyl)-1-piperidinyl]methyl]-4-propan-2-yl-2-propoxy-1-cyclohepta-2,4,6-trienone IUPAC Name: 7-[(4-benzylpiperidin-1-yl)methyl]-4-propan-2-yl-2-propoxycyclohepta-2,4,6-trien-1-one Traditional Name: 7-[(4-benzylpiperidino)methyl]-4-isopropyl-2-propoxy-cyclohepta-2,4,6-trien-1-one Formula: C26H35NO2 MolecularWeight: 393.5616

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=CC=C(C1=O)CN2CCC(CC2)CC3=CC=CC=C3)C(C)C

Isomeric SMILES

CCCOC1=CC(=CC=C(C1=O)CN2CCC(CC2)CC3=CC=CC=C3)C(C)C

InChI

InChI=1S/C26H35NO2/c1-4-16-29-25-18-23(20(2)3)10-11-24(26(25)28)19-27-14-12-22(13-15-27)17-21-8-6-5-7-9-21/h5-11,18,20,22H,4,12-17,19H2,1-3H3