4-(azepan-4-yl)-4-[4-(7-oxidanylidenecyclohepta-1,3,5-trien-1-yl)piperazin-1-yl]-2-phenyl-butanal

Systemtic Name: 4-(azepan-4-yl)-4-[4-(7-oxidanylidenecyclohepta-1,3,5-trien-1-yl)piperazin-1-yl]-2-phenyl-butanal Openeye Name: 4-(azepan-4-yl)-4-[4-(7-oxocyclohepta-1,3,5-trien-1-yl)piperazin-1-yl]-2-phenyl-butanal CAS Name: 4-(4-azepanyl)-4-[4-(7-oxo-1-cyclohepta-1,3,5-trienyl)-1-piperazinyl]-2-phenylbutanal IUPAC Name: 4-(azepan-4-yl)-4-[4-(7-oxocyclohepta-1,3,5-trien-1-yl)piperazin-1-yl]-2-phenylbutanal Traditional Name: 4-(azepan-4-yl)-4-[4-(7-ketocyclohepta-1,3,5-trien-1-yl)piperazino]-2-phenyl-butyraldehyde Formula: C27H35N3O2 MolecularWeight: 433.5857

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCNC1)C(CC(C=O)C2=CC=CC=C2)N3CCN(CC3)C4=CC=CC=CC4=O

Isomeric SMILES

C1CC(CCNC1)C(CC(C=O)C2=CC=CC=C2)N3CCN(CC3)C4=CC=CC=CC4=O

InChI

InChI=1S/C27H35N3O2/c31-21-24(22-8-3-1-4-9-22)20-26(23-10-7-14-28-15-13-23)30-18-16-29(17-19-30)25-11-5-2-6-12-27(25)32/h1-6,8-9,11-12,21,23-24,26,28H,7,10,13-20H2