N-[2-(aminomethyl)phenyl]-4-(1,2,4-triazol-1-yl)butanamide

Systemtic Name: N-[2-(aminomethyl)phenyl]-4-(1,2,4-triazol-1-yl)butanamide Openeye Name: N-[2-(aminomethyl)phenyl]-4-(1,2,4-triazol-1-yl)butanamide CAS Name: N-[2-(aminomethyl)phenyl]-4-(1,2,4-triazol-1-yl)butanamide IUPAC Name: N-[2-(aminomethyl)phenyl]-4-(1,2,4-triazol-1-yl)butanamide Traditional Name: N-[2-(aminomethyl)phenyl]-4-(1,2,4-triazol-1-yl)butyramide Formula: C13H17N5O MolecularWeight: 259.30698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN)NC(=O)CCCN2C=NC=N2

Isomeric SMILES

C1=CC=C(C(=C1)CN)NC(=O)CCCN2C=NC=N2

InChI

InChI=1S/C13H17N5O/c14-8-11-4-1-2-5-12(11)17-13(19)6-3-7-18-10-15-9-16-18/h1-2,4-5,9-10H,3,6-8,14H2,(H,17,19)