1-[(E)-2-oxidanylidene-5-[4-(2-phenoxyphenyl)piperazin-1-yl]pent-3-enyl]azepan-2-one

Systemtic Name: 1-[(E)-2-oxidanylidene-5-[4-(2-phenoxyphenyl)piperazin-1-yl]pent-3-enyl]azepan-2-one Openeye Name: 1-[(E)-2-oxo-5-[4-(2-phenoxyphenyl)piperazin-1-yl]pent-3-enyl]azepan-2-one CAS Name: 1-[(E)-2-oxo-5-[4-(2-phenoxyphenyl)-1-piperazinyl]pent-3-enyl]-2-azepanone IUPAC Name: 1-[(E)-2-oxo-5-[4-(2-phenoxyphenyl)piperazin-1-yl]pent-3-enyl]azepan-2-one Traditional Name: 1-[(E)-2-keto-5-[4-(2-phenoxyphenyl)piperazino]pent-3-enyl]azepan-2-one Formula: C27H33N3O3 MolecularWeight: 447.56922

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CC(=O)C=CCN2CCN(CC2)C3=CC=CC=C3OC4=CC=CC=C4

Isomeric SMILES

C1CCC(=O)N(CC1)CC(=O)/C=C/CN2CCN(CC2)C3=CC=CC=C3OC4=CC=CC=C4

InChI

InChI=1S/C27H33N3O3/c31-23(22-30-17-8-2-5-15-27(30)32)10-9-16-28-18-20-29(21-19-28)25-13-6-7-14-26(25)33-24-11-3-1-4-12-24/h1,3-4,6-7,9-14H,2,5,8,15-22H2/b10-9+