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

Systemtic Name: N-[4-(aminomethyl)phenyl]-3-(1,2,4-triazol-1-yl)propanamide Openeye Name: N-[4-(aminomethyl)phenyl]-3-(1,2,4-triazol-1-yl)propanamide CAS Name: N-[4-(aminomethyl)phenyl]-3-(1,2,4-triazol-1-yl)propanamide IUPAC Name: N-[4-(aminomethyl)phenyl]-3-(1,2,4-triazol-1-yl)propanamide Traditional Name: N-[4-(aminomethyl)phenyl]-3-(1,2,4-triazol-1-yl)propionamide Formula: C12H15N5O MolecularWeight: 245.2804

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN)NC(=O)CCN2C=NC=N2

Isomeric SMILES

C1=CC(=CC=C1CN)NC(=O)CCN2C=NC=N2

InChI

InChI=1S/C12H15N5O/c13-7-10-1-3-11(4-2-10)16-12(18)5-6-17-9-14-8-15-17/h1-4,8-9H,5-7,13H2,(H,16,18)