3-(benzotriazol-1-yl)-N-[4-(propanoylamino)phenyl]propanamide

Systemtic Name: 3-(benzotriazol-1-yl)-N-[4-(propanoylamino)phenyl]propanamide Openeye Name: 3-(benzotriazol-1-yl)-N-[4-(propanoylamino)phenyl]propanamide CAS Name: 3-(1-benzotriazolyl)-N-[4-(1-oxopropylamino)phenyl]propanamide IUPAC Name: 3-(benzotriazol-1-yl)-N-[4-(propanoylamino)phenyl]propanamide Traditional Name: 3-(benzotriazol-1-yl)-N-(4-propionamidophenyl)propionamide Formula: C18H19N5O2 MolecularWeight: 337.37576

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)NC(=O)CCN2C3=CC=CC=C3N=N2

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)NC(=O)CCN2C3=CC=CC=C3N=N2

InChI

InChI=1S/C18H19N5O2/c1-2-17(24)19-13-7-9-14(10-8-13)20-18(25)11-12-23-16-6-4-3-5-15(16)21-22-23/h3-10H,2,11-12H2,1H3,(H,19,24)(H,20,25)