4-(1,3-benzodioxol-5-ylcarbonyl)-N-[(4-fluorophenyl)methyl]-1,4-diazepane-1-carboxamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylcarbonyl)-N-[(4-fluorophenyl)methyl]-1,4-diazepane-1-carboxamide Openeye Name: 4-(1,3-benzodioxole-5-carbonyl)-N-[(4-fluorophenyl)methyl]-1,4-diazepane-1-carboxamide CAS Name: 4-[1,3-benzodioxol-5-yl(oxo)methyl]-N-[(4-fluorophenyl)methyl]-1,4-diazepane-1-carboxamide IUPAC Name: 4-(1,3-benzodioxole-5-carbonyl)-N-[(4-fluorophenyl)methyl]-1,4-diazepane-1-carboxamide Traditional Name: N-(4-fluorobenzyl)-4-piperonyloyl-1,4-diazepane-1-carboxamide Formula: C21H22FN3O4 MolecularWeight: 399.415483

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NCC2=CC=C(C=C2)F)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCN(C1)C(=O)NCC2=CC=C(C=C2)F)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H22FN3O4/c22-17-5-2-15(3-6-17)13-23-21(27)25-9-1-8-24(10-11-25)20(26)16-4-7-18-19(12-16)29-14-28-18/h2-7,12H,1,8-11,13-14H2,(H,23,27)