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

Systemtic Name: 2-butoxy-7-[(3-methyl-4-phenyl-piperazin-1-yl)methyl]-4-propan-2-yl-cyclohepta-2,4,6-trien-1-one Openeye Name: 2-butoxy-4-isopropyl-7-[(3-methyl-4-phenyl-piperazin-1-yl)methyl]cyclohepta-2,4,6-trien-1-one CAS Name: 2-butoxy-7-[(3-methyl-4-phenyl-1-piperazinyl)methyl]-4-propan-2-yl-1-cyclohepta-2,4,6-trienone IUPAC Name: 2-butoxy-7-[(3-methyl-4-phenylpiperazin-1-yl)methyl]-4-propan-2-ylcyclohepta-2,4,6-trien-1-one Traditional Name: 2-butoxy-4-isopropyl-7-[(3-methyl-4-phenyl-piperazino)methyl]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(C(C2)C)C3=CC=CC=C3)C(C)C

Isomeric SMILES

CCCCOC1=CC(=CC=C(C1=O)CN2CCN(C(C2)C)C3=CC=CC=C3)C(C)C

InChI

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