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

Systemtic Name: N-[4-[3-(benzotriazol-1-yl)propanoylamino]-2,5-diethoxy-phenyl]cyclopropanecarboxamide Openeye Name: N-[4-[3-(benzotriazol-1-yl)propanoylamino]-2,5-diethoxy-phenyl]cyclopropanecarboxamide CAS Name: N-[4-[[3-(1-benzotriazolyl)-1-oxopropyl]amino]-2,5-diethoxyphenyl]cyclopropanecarboxamide IUPAC Name: N-[4-[3-(benzotriazol-1-yl)propanoylamino]-2,5-diethoxyphenyl]cyclopropanecarboxamide Traditional Name: N-[4-[3-(benzotriazol-1-yl)propanoylamino]-2,5-diethoxy-phenyl]cyclopropanecarboxamide Formula: C23H27N5O4 MolecularWeight: 437.49158

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1NC(=O)C2CC2)OCC)NC(=O)CCN3C4=CC=CC=C4N=N3

Isomeric SMILES

CCOC1=CC(=C(C=C1NC(=O)C2CC2)OCC)NC(=O)CCN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C23H27N5O4/c1-3-31-20-14-18(25-23(30)15-9-10-15)21(32-4-2)13-17(20)24-22(29)11-12-28-19-8-6-5-7-16(19)26-27-28/h5-8,13-15H,3-4,9-12H2,1-2H3,(H,24,29)(H,25,30)