2-ethoxy-7-[(3-methyl-4-phenyl-piperazin-1-yl)methyl]-4-propan-2-yl-cyclohepta-2,4,6-trien-1-one

Systemtic Name: 2-ethoxy-7-[(3-methyl-4-phenyl-piperazin-1-yl)methyl]-4-propan-2-yl-cyclohepta-2,4,6-trien-1-one Openeye Name: 2-ethoxy-4-isopropyl-7-[(3-methyl-4-phenyl-piperazin-1-yl)methyl]cyclohepta-2,4,6-trien-1-one CAS Name: 2-ethoxy-7-[(3-methyl-4-phenyl-1-piperazinyl)methyl]-4-propan-2-yl-1-cyclohepta-2,4,6-trienone IUPAC Name: 2-ethoxy-7-[(3-methyl-4-phenylpiperazin-1-yl)methyl]-4-propan-2-ylcyclohepta-2,4,6-trien-1-one Traditional Name: 2-ethoxy-4-isopropyl-7-[(3-methyl-4-phenyl-piperazino)methyl]cyclohepta-2,4,6-trien-1-one Formula: C24H32N2O2 MolecularWeight: 380.52308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC=C(C1=O)CN2CCN(C(C2)C)C3=CC=CC=C3)C(C)C

Isomeric SMILES

CCOC1=CC(=CC=C(C1=O)CN2CCN(C(C2)C)C3=CC=CC=C3)C(C)C

InChI

InChI=1S/C24H32N2O2/c1-5-28-23-15-20(18(2)3)11-12-21(24(23)27)17-25-13-14-26(19(4)16-25)22-9-7-6-8-10-22/h6-12,15,18-19H,5,13-14,16-17H2,1-4H3