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

Systemtic Name: 7-[(4-phenylpiperazin-1-yl)methyl]-2-piperazin-1-yl-4-propan-2-yl-cyclohepta-2,4,6-trien-1-one Openeye Name: 4-isopropyl-7-[(4-phenylpiperazin-1-yl)methyl]-2-piperazin-1-yl-cyclohepta-2,4,6-trien-1-one CAS Name: 7-[(4-phenyl-1-piperazinyl)methyl]-2-(1-piperazinyl)-4-propan-2-yl-1-cyclohepta-2,4,6-trienone IUPAC Name: 7-[(4-phenylpiperazin-1-yl)methyl]-2-piperazin-1-yl-4-propan-2-ylcyclohepta-2,4,6-trien-1-one Traditional Name: 4-isopropyl-7-[(4-phenylpiperazino)methyl]-2-piperazino-cyclohepta-2,4,6-trien-1-one Formula: C25H34N4O MolecularWeight: 406.56366

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C(=O)C(=C1)N2CCNCC2)CN3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC(C)C1=CC=C(C(=O)C(=C1)N2CCNCC2)CN3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C25H34N4O/c1-20(2)21-8-9-22(25(30)24(18-21)29-12-10-26-11-13-29)19-27-14-16-28(17-15-27)23-6-4-3-5-7-23/h3-9,18,20,26H,10-17,19H2,1-2H3