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

Systemtic Name: N-[4-[3-(benzotriazol-1-yl)propanoylamino]-2,5-diethoxy-phenyl]-4-methyl-benzamide Openeye Name: N-[4-[3-(benzotriazol-1-yl)propanoylamino]-2,5-diethoxy-phenyl]-4-methyl-benzamide CAS Name: N-[4-[[3-(1-benzotriazolyl)-1-oxopropyl]amino]-2,5-diethoxyphenyl]-4-methylbenzamide IUPAC Name: N-[4-[3-(benzotriazol-1-yl)propanoylamino]-2,5-diethoxyphenyl]-4-methylbenzamide Traditional Name: N-[4-[3-(benzotriazol-1-yl)propanoylamino]-2,5-diethoxy-phenyl]-4-methyl-benzamide Formula: C27H29N5O4 MolecularWeight: 487.55026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1NC(=O)C2=CC=C(C=C2)C)OCC)NC(=O)CCN3C4=CC=CC=C4N=N3

Isomeric SMILES

CCOC1=CC(=C(C=C1NC(=O)C2=CC=C(C=C2)C)OCC)NC(=O)CCN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C27H29N5O4/c1-4-35-24-17-22(29-27(34)19-12-10-18(3)11-13-19)25(36-5-2)16-21(24)28-26(33)14-15-32-23-9-7-6-8-20(23)30-31-32/h6-13,16-17H,4-5,14-15H2,1-3H3,(H,28,33)(H,29,34)