1-(2-oxidanylideneazepan-1-yl)-5-[4-(2-phenoxyphenyl)piperazin-1-yl]pentane-2,4-dione

Systemtic Name: 1-(2-oxidanylideneazepan-1-yl)-5-[4-(2-phenoxyphenyl)piperazin-1-yl]pentane-2,4-dione Openeye Name: 1-(2-oxoazepan-1-yl)-5-[4-(2-phenoxyphenyl)piperazin-1-yl]pentane-2,4-dione CAS Name: 1-(2-oxo-1-azepanyl)-5-[4-(2-phenoxyphenyl)-1-piperazinyl]pentane-2,4-dione IUPAC Name: 1-(2-oxoazepan-1-yl)-5-[4-(2-phenoxyphenyl)piperazin-1-yl]pentane-2,4-dione Traditional Name: 1-(2-ketoazepan-1-yl)-5-[4-(2-phenoxyphenyl)piperazino]pentane-2,4-dione Formula: C27H33N3O4 MolecularWeight: 463.56862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33N3O4/c31-22(19-23(32)21-30-14-8-2-5-13-27(30)33)20-28-15-17-29(18-16-28)25-11-6-7-12-26(25)34-24-9-3-1-4-10-24/h1,3-4,6-7,9-12H,2,5,8,13-21H2