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

Systemtic Name: 7-[[4-(phenylmethyl)piperazin-1-yl]methyl]-4-propan-2-yl-2-propoxy-cyclohepta-2,4,6-trien-1-one Openeye Name: 7-[(4-benzylpiperazin-1-yl)methyl]-4-isopropyl-2-propoxy-cyclohepta-2,4,6-trien-1-one CAS Name: 7-[[4-(phenylmethyl)-1-piperazinyl]methyl]-4-propan-2-yl-2-propoxy-1-cyclohepta-2,4,6-trienone IUPAC Name: 7-[(4-benzylpiperazin-1-yl)methyl]-4-propan-2-yl-2-propoxycyclohepta-2,4,6-trien-1-one Traditional Name: 7-[(4-benzylpiperazino)methyl]-4-isopropyl-2-propoxy-cyclohepta-2,4,6-trien-1-one Formula: C25H34N2O2 MolecularWeight: 394.54966

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=CC=C(C1=O)CN2CCN(CC2)CC3=CC=CC=C3)C(C)C

Isomeric SMILES

CCCOC1=CC(=CC=C(C1=O)CN2CCN(CC2)CC3=CC=CC=C3)C(C)C

InChI

InChI=1S/C25H34N2O2/c1-4-16-29-24-17-22(20(2)3)10-11-23(25(24)28)19-27-14-12-26(13-15-27)18-21-8-6-5-7-9-21/h5-11,17,20H,4,12-16,18-19H2,1-3H3