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

Systemtic Name: 2-butoxy-7-[[4-(phenylmethyl)piperazin-1-yl]methyl]-4-propan-2-yl-cyclohepta-2,4,6-trien-1-one Openeye Name: 7-[(4-benzylpiperazin-1-yl)methyl]-2-butoxy-4-isopropyl-cyclohepta-2,4,6-trien-1-one CAS Name: 2-butoxy-7-[[4-(phenylmethyl)-1-piperazinyl]methyl]-4-propan-2-yl-1-cyclohepta-2,4,6-trienone IUPAC Name: 7-[(4-benzylpiperazin-1-yl)methyl]-2-butoxy-4-propan-2-ylcyclohepta-2,4,6-trien-1-one Traditional Name: 7-[(4-benzylpiperazino)methyl]-2-butoxy-4-isopropyl-cyclohepta-2,4,6-trien-1-one Formula: C26H36N2O2 MolecularWeight: 408.57624

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=CC=C(C1=O)CN2CCN(CC2)CC3=CC=CC=C3)C(C)C

Isomeric SMILES

CCCCOC1=CC(=CC=C(C1=O)CN2CCN(CC2)CC3=CC=CC=C3)C(C)C

InChI

InChI=1S/C26H36N2O2/c1-4-5-17-30-25-18-23(21(2)3)11-12-24(26(25)29)20-28-15-13-27(14-16-28)19-22-9-7-6-8-10-22/h6-12,18,21H,4-5,13-17,19-20H2,1-3H3