N-[3-(aminomethyl)phenyl]-4-(1,2,4-triazol-1-yl)butanamide

Systemtic Name: N-[3-(aminomethyl)phenyl]-4-(1,2,4-triazol-1-yl)butanamide Openeye Name: N-[3-(aminomethyl)phenyl]-4-(1,2,4-triazol-1-yl)butanamide CAS Name: N-[3-(aminomethyl)phenyl]-4-(1,2,4-triazol-1-yl)butanamide IUPAC Name: N-[3-(aminomethyl)phenyl]-4-(1,2,4-triazol-1-yl)butanamide Traditional Name: N-[3-(aminomethyl)phenyl]-4-(1,2,4-triazol-1-yl)butyramide Formula: C13H17N5O MolecularWeight: 259.30698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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