N4-[(2-chlorophenyl)methyl]-N1-(4-cyanophenyl)-1,4-diazepane-1,4-dicarboxamide

Systemtic Name: N4-[(2-chlorophenyl)methyl]-N1-(4-cyanophenyl)-1,4-diazepane-1,4-dicarboxamide Openeye Name: N4-[(2-chlorophenyl)methyl]-N1-(4-cyanophenyl)-1,4-diazepane-1,4-dicarboxamide CAS Name: N4-[(2-chlorophenyl)methyl]-N1-(4-cyanophenyl)-1,4-diazepane-1,4-dicarboxamide IUPAC Name: 4-N-[(2-chlorophenyl)methyl]-1-N-(4-cyanophenyl)-1,4-diazepane-1,4-dicarboxamide Traditional Name: N'-(2-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=C3Cl

Isomeric SMILES

C1CN(CCN(C1)C(=O)NC2=CC=C(C=C2)C#N)C(=O)NCC3=CC=CC=C3Cl

InChI

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