N4-[(3-chlorophenyl)methyl]-N1-(4-cyanophenyl)-1,4-diazepane-1,4-dicarboxamide

Systemtic Name: N4-[(3-chlorophenyl)methyl]-N1-(4-cyanophenyl)-1,4-diazepane-1,4-dicarboxamide Openeye Name: N4-[(3-chlorophenyl)methyl]-N1-(4-cyanophenyl)-1,4-diazepane-1,4-dicarboxamide CAS Name: N4-[(3-chlorophenyl)methyl]-N1-(4-cyanophenyl)-1,4-diazepane-1,4-dicarboxamide IUPAC Name: 4-N-[(3-chlorophenyl)methyl]-1-N-(4-cyanophenyl)-1,4-diazepane-1,4-dicarboxamide Traditional Name: N'-(3-chlorobenzyl)-N-(4-cyanophenyl)-1,4-diazepane-1,4-dicarboxamide Formula: C21H22ClN5O2 MolecularWeight: 411.88468

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NC2=CC=C(C=C2)C#N)C(=O)NCC3=CC(=CC=C3)Cl

Isomeric SMILES

C1CN(CCN(C1)C(=O)NC2=CC=C(C=C2)C#N)C(=O)NCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H22ClN5O2/c22-18-4-1-3-17(13-18)15-24-20(28)26-9-2-10-27(12-11-26)21(29)25-19-7-5-16(14-23)6-8-19/h1,3-8,13H,2,9-12,15H2,(H,24,28)(H,25,29)