2-[4-[4-(azepan-1-yl)-4-oxidanylidene-3-phenyl-butyl]piperazin-1-yl]cyclohepta-2,4,6-trien-1-one

Systemtic Name: 2-[4-[4-(azepan-1-yl)-4-oxidanylidene-3-phenyl-butyl]piperazin-1-yl]cyclohepta-2,4,6-trien-1-one Openeye Name: 2-[4-[4-(azepan-1-yl)-4-oxo-3-phenyl-butyl]piperazin-1-yl]cyclohepta-2,4,6-trien-1-one CAS Name: 2-[4-[4-(1-azepanyl)-4-oxo-3-phenylbutyl]-1-piperazinyl]-1-cyclohepta-2,4,6-trienone IUPAC Name: 2-[4-[4-(azepan-1-yl)-4-oxo-3-phenylbutyl]piperazin-1-yl]cyclohepta-2,4,6-trien-1-one Traditional Name: 2-[4-[4-(azepan-1-yl)-4-keto-3-phenyl-butyl]piperazino]cyclohepta-2,4,6-trien-1-one Formula: C27H35N3O2 MolecularWeight: 433.5857

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C(CCN2CCN(CC2)C3=CC=CC=CC3=O)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)C(CCN2CCN(CC2)C3=CC=CC=CC3=O)C4=CC=CC=C4

InChI

InChI=1S/C27H35N3O2/c31-26-14-8-4-7-13-25(26)29-21-19-28(20-22-29)18-15-24(23-11-5-3-6-12-23)27(32)30-16-9-1-2-10-17-30/h3-8,11-14,24H,1-2,9-10,15-22H2