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

Systemtic Name: 7-[(4-phenylpiperazin-1-yl)methyl]-2-piperidin-1-yl-4-propan-2-yl-cyclohepta-2,4,6-trien-1-one Openeye Name: 4-isopropyl-7-[(4-phenylpiperazin-1-yl)methyl]-2-(1-piperidyl)cyclohepta-2,4,6-trien-1-one CAS Name: 7-[(4-phenyl-1-piperazinyl)methyl]-2-(1-piperidinyl)-4-propan-2-yl-1-cyclohepta-2,4,6-trienone IUPAC Name: 7-[(4-phenylpiperazin-1-yl)methyl]-2-piperidin-1-yl-4-propan-2-ylcyclohepta-2,4,6-trien-1-one Traditional Name: 4-isopropyl-7-[(4-phenylpiperazino)methyl]-2-piperidino-cyclohepta-2,4,6-trien-1-one Formula: C26H35N3O MolecularWeight: 405.5756

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C(=O)C(=C1)N2CCCCC2)CN3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC(C)C1=CC=C(C(=O)C(=C1)N2CCCCC2)CN3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C26H35N3O/c1-21(2)22-11-12-23(26(30)25(19-22)29-13-7-4-8-14-29)20-27-15-17-28(18-16-27)24-9-5-3-6-10-24/h3,5-6,9-12,19,21H,4,7-8,13-18,20H2,1-2H3