4-(1,3-benzodioxol-5-ylcarbonyl)-N-(phenylmethyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylcarbonyl)-N-(phenylmethyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-(1,3-benzodioxole-5-carbonyl)-N-benzyl-1,4-diazepane-1-carboxamide CAS Name: 4-[1,3-benzodioxol-5-yl(oxo)methyl]-N-(phenylmethyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-(1,3-benzodioxole-5-carbonyl)-N-benzyl-1,4-diazepane-1-carboxamide Traditional Name: N-benzyl-4-piperonyloyl-1,4-diazepane-1-carboxamide Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4/c25-20(17-7-8-18-19(13-17)28-15-27-18)23-9-4-10-24(12-11-23)21(26)22-14-16-5-2-1-3-6-16/h1-3,5-8,13H,4,9-12,14-15H2,(H,22,26)