2-(4-methylpiperidin-1-yl)-7-[(4-phenylpiperazin-1-yl)methyl]-4-propan-2-yl-cyclohepta-2,4,6-trien-1-one

Systemtic Name: 2-(4-methylpiperidin-1-yl)-7-[(4-phenylpiperazin-1-yl)methyl]-4-propan-2-yl-cyclohepta-2,4,6-trien-1-one Openeye Name: 4-isopropyl-2-(4-methyl-1-piperidyl)-7-[(4-phenylpiperazin-1-yl)methyl]cyclohepta-2,4,6-trien-1-one CAS Name: 2-(4-methyl-1-piperidinyl)-7-[(4-phenyl-1-piperazinyl)methyl]-4-propan-2-yl-1-cyclohepta-2,4,6-trienone IUPAC Name: 2-(4-methylpiperidin-1-yl)-7-[(4-phenylpiperazin-1-yl)methyl]-4-propan-2-ylcyclohepta-2,4,6-trien-1-one Traditional Name: 4-isopropyl-2-(4-methylpiperidino)-7-[(4-phenylpiperazino)methyl]cyclohepta-2,4,6-trien-1-one Formula: C27H37N3O MolecularWeight: 419.60218

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=CC(=CC=C(C2=O)CN3CCN(CC3)C4=CC=CC=C4)C(C)C

Isomeric SMILES

CC1CCN(CC1)C2=CC(=CC=C(C2=O)CN3CCN(CC3)C4=CC=CC=C4)C(C)C

InChI

InChI=1S/C27H37N3O/c1-21(2)23-9-10-24(27(31)26(19-23)30-13-11-22(3)12-14-30)20-28-15-17-29(18-16-28)25-7-5-4-6-8-25/h4-10,19,21-22H,11-18,20H2,1-3H3