3-(benzotriazol-1-yl)-N-[2,5-diethoxy-4-(propanoylamino)phenyl]propanamide

Systemtic Name: 3-(benzotriazol-1-yl)-N-[2,5-diethoxy-4-(propanoylamino)phenyl]propanamide Openeye Name: 3-(benzotriazol-1-yl)-N-[2,5-diethoxy-4-(propanoylamino)phenyl]propanamide CAS Name: 3-(1-benzotriazolyl)-N-[2,5-diethoxy-4-(1-oxopropylamino)phenyl]propanamide IUPAC Name: 3-(benzotriazol-1-yl)-N-[2,5-diethoxy-4-(propanoylamino)phenyl]propanamide Traditional Name: 3-(benzotriazol-1-yl)-N-(2,5-diethoxy-4-propionamido-phenyl)propionamide Formula: C22H27N5O4 MolecularWeight: 425.48088

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=C(C=C1OCC)NC(=O)CCN2C3=CC=CC=C3N=N2)OCC

Isomeric SMILES

CCC(=O)NC1=CC(=C(C=C1OCC)NC(=O)CCN2C3=CC=CC=C3N=N2)OCC

InChI

InChI=1S/C22H27N5O4/c1-4-21(28)23-16-13-20(31-6-3)17(14-19(16)30-5-2)24-22(29)11-12-27-18-10-8-7-9-15(18)25-26-27/h7-10,13-14H,4-6,11-12H2,1-3H3,(H,23,28)(H,24,29)