4-(4-cyanophenyl)-N-(2-imidazol-1-ylethyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-(4-cyanophenyl)-N-(2-imidazol-1-ylethyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-(4-cyanophenyl)-N-(2-imidazol-1-ylethyl)-1,4-diazepane-1-carboxamide CAS Name: 4-(4-cyanophenyl)-N-[2-(1-imidazolyl)ethyl]-1,4-diazepane-1-carboxamide IUPAC Name: 4-(4-cyanophenyl)-N-(2-imidazol-1-ylethyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(4-cyanophenyl)-N-(2-imidazol-1-ylethyl)-1,4-diazepane-1-carboxamide Formula: C18H22N6O MolecularWeight: 338.40688

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NCCN2C=CN=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(CCN(C1)C(=O)NCCN2C=CN=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H22N6O/c19-14-16-2-4-17(5-3-16)23-8-1-9-24(13-12-23)18(25)21-7-11-22-10-6-20-15-22/h2-6,10,15H,1,7-9,11-13H2,(H,21,25)