4-(1,3-benzodioxol-5-ylcarbonyl)-N-[(2-chlorophenyl)methyl]-1,4-diazepane-1-carboxamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylcarbonyl)-N-[(2-chlorophenyl)methyl]-1,4-diazepane-1-carboxamide Openeye Name: 4-(1,3-benzodioxole-5-carbonyl)-N-[(2-chlorophenyl)methyl]-1,4-diazepane-1-carboxamide CAS Name: 4-[1,3-benzodioxol-5-yl(oxo)methyl]-N-[(2-chlorophenyl)methyl]-1,4-diazepane-1-carboxamide IUPAC Name: 4-(1,3-benzodioxole-5-carbonyl)-N-[(2-chlorophenyl)methyl]-1,4-diazepane-1-carboxamide Traditional Name: N-(2-chlorobenzyl)-4-piperonyloyl-1,4-diazepane-1-carboxamide Formula: C21H22ClN3O4 MolecularWeight: 415.87008

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NCC2=CC=CC=C2Cl)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCN(C1)C(=O)NCC2=CC=CC=C2Cl)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H22ClN3O4/c22-17-5-2-1-4-16(17)13-23-21(27)25-9-3-8-24(10-11-25)20(26)15-6-7-18-19(12-15)29-14-28-18/h1-2,4-7,12H,3,8-11,13-14H2,(H,23,27)