1-[3-(1,3-benzodioxol-5-yl)-3-phenyl-propanoyl]-1,4-diazepan-5-one

Systemtic Name: 1-[3-(1,3-benzodioxol-5-yl)-3-phenyl-propanoyl]-1,4-diazepan-5-one Openeye Name: 1-[3-(1,3-benzodioxol-5-yl)-3-phenyl-propanoyl]-1,4-diazepan-5-one CAS Name: 1-[3-(1,3-benzodioxol-5-yl)-1-oxo-3-phenylpropyl]-1,4-diazepan-5-one IUPAC Name: 1-[3-(1,3-benzodioxol-5-yl)-3-phenylpropanoyl]-1,4-diazepan-5-one Traditional Name: 1-[3-(1,3-benzodioxol-5-yl)-3-phenyl-propanoyl]-1,4-diazepan-5-one Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCNC1=O)C(=O)CC(C2=CC=CC=C2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCNC1=O)C(=O)CC(C2=CC=CC=C2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H22N2O4/c24-20-8-10-23(11-9-22-20)21(25)13-17(15-4-2-1-3-5-15)16-6-7-18-19(12-16)27-14-26-18/h1-7,12,17H,8-11,13-14H2,(H,22,24)