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

Systemtic Name: 2-(butylamino)-7-[(4-phenylpiperazin-1-yl)methyl]-4-propan-2-yl-cyclohepta-2,4,6-trien-1-one Openeye Name: 2-(butylamino)-4-isopropyl-7-[(4-phenylpiperazin-1-yl)methyl]cyclohepta-2,4,6-trien-1-one CAS Name: 2-(butylamino)-7-[(4-phenyl-1-piperazinyl)methyl]-4-propan-2-yl-1-cyclohepta-2,4,6-trienone IUPAC Name: 2-(butylamino)-7-[(4-phenylpiperazin-1-yl)methyl]-4-propan-2-ylcyclohepta-2,4,6-trien-1-one Traditional Name: 2-(butylamino)-4-isopropyl-7-[(4-phenylpiperazino)methyl]cyclohepta-2,4,6-trien-1-one Formula: C25H35N3O MolecularWeight: 393.5649

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=CC(=CC=C(C1=O)CN2CCN(CC2)C3=CC=CC=C3)C(C)C

Isomeric SMILES

CCCCNC1=CC(=CC=C(C1=O)CN2CCN(CC2)C3=CC=CC=C3)C(C)C

InChI

InChI=1S/C25H35N3O/c1-4-5-13-26-24-18-21(20(2)3)11-12-22(25(24)29)19-27-14-16-28(17-15-27)23-9-7-6-8-10-23/h6-12,18,20H,4-5,13-17,19H2,1-3H3,(H,26,29)