N-[[4-(azepan-1-ylcarbonyl)phenyl]methyl]-4-(1,2,4-triazol-1-yl)butanamide

Systemtic Name: N-[[4-(azepan-1-ylcarbonyl)phenyl]methyl]-4-(1,2,4-triazol-1-yl)butanamide Openeye Name: N-[[4-(azepane-1-carbonyl)phenyl]methyl]-4-(1,2,4-triazol-1-yl)butanamide CAS Name: N-[[4-[1-azepanyl(oxo)methyl]phenyl]methyl]-4-(1,2,4-triazol-1-yl)butanamide IUPAC Name: N-[[4-(azepane-1-carbonyl)phenyl]methyl]-4-(1,2,4-triazol-1-yl)butanamide Traditional Name: N-[4-(azepane-1-carbonyl)benzyl]-4-(1,2,4-triazol-1-yl)butyramide Formula: C20H27N5O2 MolecularWeight: 369.46068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)CNC(=O)CCCN3C=NC=N3

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)CNC(=O)CCCN3C=NC=N3

InChI

InChI=1S/C20H27N5O2/c26-19(6-5-13-25-16-21-15-23-25)22-14-17-7-9-18(10-8-17)20(27)24-11-3-1-2-4-12-24/h7-10,15-16H,1-6,11-14H2,(H,22,26)