N-(1,3-benzodioxol-5-ylmethyl)-4-(4-chlorophenyl)carbonyl-1,4-diazepane-1-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(4-chlorophenyl)carbonyl-1,4-diazepane-1-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(4-chlorobenzoyl)-1,4-diazepane-1-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(4-chlorophenyl)-oxomethyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(4-chlorobenzoyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(4-chlorobenzoyl)-N-piperonyl-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=CC3=C(C=C2)OCO3)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN(C1)C(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H22ClN3O4/c22-17-5-3-16(4-6-17)20(26)24-8-1-9-25(11-10-24)21(27)23-13-15-2-7-18-19(12-15)29-14-28-18/h2-7,12H,1,8-11,13-14H2,(H,23,27)