N1-(4-cyanophenyl)-N4-(phenylmethyl)-1,4-diazepane-1,4-dicarboxamide

Systemtic Name: N1-(4-cyanophenyl)-N4-(phenylmethyl)-1,4-diazepane-1,4-dicarboxamide Openeye Name: N4-benzyl-N1-(4-cyanophenyl)-1,4-diazepane-1,4-dicarboxamide CAS Name: N1-(4-cyanophenyl)-N4-(phenylmethyl)-1,4-diazepane-1,4-dicarboxamide IUPAC Name: 4-N-benzyl-1-N-(4-cyanophenyl)-1,4-diazepane-1,4-dicarboxamide Traditional Name: N'-benzyl-N-(4-cyanophenyl)-1,4-diazepane-1,4-dicarboxamide Formula: C21H23N5O2 MolecularWeight: 377.43962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O2/c22-15-17-7-9-19(10-8-17)24-21(28)26-12-4-11-25(13-14-26)20(27)23-16-18-5-2-1-3-6-18/h1-3,5-10H,4,11-14,16H2,(H,23,27)(H,24,28)