[2-[3-oxidanylidene-3-[4-(phenylmethyl)-1,4-diazepan-1-yl]propyl]phenyl] benzoate

Systemtic Name: [2-[3-oxidanylidene-3-[4-(phenylmethyl)-1,4-diazepan-1-yl]propyl]phenyl] benzoate Openeye Name: [2-[3-(4-benzyl-1,4-diazepan-1-yl)-3-oxo-propyl]phenyl] benzoate CAS Name: benzoic acid [2-[3-oxo-3-[4-(phenylmethyl)-1,4-diazepan-1-yl]propyl]phenyl] ester IUPAC Name: [2-[3-(4-benzyl-1,4-diazepan-1-yl)-3-oxopropyl]phenyl] benzoate Traditional Name: benzoic acid [2-[3-(4-benzyl-1,4-diazepan-1-yl)-3-keto-propyl]phenyl] ester Formula: C28H30N2O3 MolecularWeight: 442.5494

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CCC2=CC=CC=C2OC(=O)C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)CCC2=CC=CC=C2OC(=O)C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C28H30N2O3/c31-27(30-19-9-18-29(20-21-30)22-23-10-3-1-4-11-23)17-16-24-12-7-8-15-26(24)33-28(32)25-13-5-2-6-14-25/h1-8,10-15H,9,16-22H2