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

Systemtic Name: N1-(4-cyanophenyl)-N4-(cyclopropylmethyl)-1,4-diazepane-1,4-dicarboxamide Openeye Name: N1-(4-cyanophenyl)-N4-(cyclopropylmethyl)-1,4-diazepane-1,4-dicarboxamide CAS Name: N1-(4-cyanophenyl)-N4-(cyclopropylmethyl)-1,4-diazepane-1,4-dicarboxamide IUPAC Name: 1-N-(4-cyanophenyl)-4-N-(cyclopropylmethyl)-1,4-diazepane-1,4-dicarboxamide Traditional Name: N-(4-cyanophenyl)-N'-(cyclopropylmethyl)-1,4-diazepane-1,4-dicarboxamide Formula: C18H23N5O2 MolecularWeight: 341.40752

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)NCC3CC3

Isomeric SMILES

C1CN(CCN(C1)C(=O)NC2=CC=C(C=C2)C#N)C(=O)NCC3CC3

InChI

InChI=1S/C18H23N5O2/c19-12-14-4-6-16(7-5-14)21-18(25)23-9-1-8-22(10-11-23)17(24)20-13-15-2-3-15/h4-7,15H,1-3,8-11,13H2,(H,20,24)(H,21,25)