4-[2-[(2R)-3-oxidanylidene-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]ethanoyl]-1,4-diazepane-1-carbaldehyde

Systemtic Name: 4-[2-[(2R)-3-oxidanylidene-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]ethanoyl]-1,4-diazepane-1-carbaldehyde Openeye Name: 4-[2-[(2R)-3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]acetyl]-1,4-diazepane-1-carbaldehyde CAS Name: 4-[1-oxo-2-[(2R)-3-oxo-1-[(3-phenoxyphenyl)methyl]-2-piperazinyl]ethyl]-1,4-diazepane-1-carboxaldehyde IUPAC Name: 4-[2-[(2R)-3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]acetyl]-1,4-diazepane-1-carbaldehyde Traditional Name: 4-[2-[(2R)-3-keto-1-(3-phenoxybenzyl)piperazin-2-yl]acetyl]-1,4-diazepane-1-carbaldehyde Formula: C25H30N4O4 MolecularWeight: 450.5301

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CC2C(=O)NCCN2CC3=CC(=CC=C3)OC4=CC=CC=C4)C=O

Isomeric SMILES

C1CN(CCN(C1)C(=O)C[C@@H]2C(=O)NCCN2CC3=CC(=CC=C3)OC4=CC=CC=C4)C=O

InChI

InChI=1S/C25H30N4O4/c30-19-27-11-5-12-28(15-14-27)24(31)17-23-25(32)26-10-13-29(23)18-20-6-4-9-22(16-20)33-21-7-2-1-3-8-21/h1-4,6-9,16,19,23H,5,10-15,17-18H2,(H,26,32)/t23-/m1/s1