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

Systemtic Name: 7-[[4-(2,4-dimethylphenyl)piperazin-1-yl]methyl]-4-propan-2-yl-2-propoxy-cyclohepta-2,4,6-trien-1-one Openeye Name: 7-[[4-(2,4-dimethylphenyl)piperazin-1-yl]methyl]-4-isopropyl-2-propoxy-cyclohepta-2,4,6-trien-1-one CAS Name: 7-[[4-(2,4-dimethylphenyl)-1-piperazinyl]methyl]-4-propan-2-yl-2-propoxy-1-cyclohepta-2,4,6-trienone IUPAC Name: 7-[[4-(2,4-dimethylphenyl)piperazin-1-yl]methyl]-4-propan-2-yl-2-propoxycyclohepta-2,4,6-trien-1-one Traditional Name: 7-[[4-(2,4-dimethylphenyl)piperazino]methyl]-4-isopropyl-2-propoxy-cyclohepta-2,4,6-trien-1-one Formula: C26H36N2O2 MolecularWeight: 408.57624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H36N2O2/c1-6-15-30-25-17-22(19(2)3)8-9-23(26(25)29)18-27-11-13-28(14-12-27)24-10-7-20(4)16-21(24)5/h7-10,16-17,19H,6,11-15,18H2,1-5H3