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

Systemtic Name: 2-(4-methylpiperazin-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-methylpiperazin-1-yl)-7-[(4-phenylpiperazin-1-yl)methyl]cyclohepta-2,4,6-trien-1-one CAS Name: 2-(4-methyl-1-piperazinyl)-7-[(4-phenyl-1-piperazinyl)methyl]-4-propan-2-yl-1-cyclohepta-2,4,6-trienone IUPAC Name: 2-(4-methylpiperazin-1-yl)-7-[(4-phenylpiperazin-1-yl)methyl]-4-propan-2-ylcyclohepta-2,4,6-trien-1-one Traditional Name: 4-isopropyl-2-(4-methylpiperazino)-7-[(4-phenylpiperazino)methyl]cyclohepta-2,4,6-trien-1-one Formula: C26H36N4O MolecularWeight: 420.59024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C(=O)C(=C1)N2CCN(CC2)C)CN3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC(C)C1=CC=C(C(=O)C(=C1)N2CCN(CC2)C)CN3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C26H36N4O/c1-21(2)22-9-10-23(26(31)25(19-22)30-15-11-27(3)12-16-30)20-28-13-17-29(18-14-28)24-7-5-4-6-8-24/h4-10,19,21H,11-18,20H2,1-3H3