N-(1,3-benzodioxol-5-yl)-2-[2-(benzotriazol-1-yl)ethanoyl-(pyridin-3-ylmethyl)amino]-3-methyl-butanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[2-(benzotriazol-1-yl)ethanoyl-(pyridin-3-ylmethyl)amino]-3-methyl-butanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[[2-(benzotriazol-1-yl)acetyl]-(3-pyridylmethyl)amino]-3-methyl-butanamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[2-(1-benzotriazolyl)-1-oxoethyl]-(3-pyridinylmethyl)amino]-3-methylbutanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[[2-(benzotriazol-1-yl)acetyl]-(pyridin-3-ylmethyl)amino]-3-methylbutanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[2-(benzotriazol-1-yl)acetyl]-(3-pyridylmethyl)amino]-3-methyl-butyramide Formula: C26H26N6O4 MolecularWeight: 486.52244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC2=C(C=C1)OCO2)N(CC3=CN=CC=C3)C(=O)CN4C5=CC=CC=C5N=N4

Isomeric SMILES

CC(C)C(C(=O)NC1=CC2=C(C=C1)OCO2)N(CC3=CN=CC=C3)C(=O)CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C26H26N6O4/c1-17(2)25(26(34)28-19-9-10-22-23(12-19)36-16-35-22)31(14-18-6-5-11-27-13-18)24(33)15-32-21-8-4-3-7-20(21)29-30-32/h3-13,17,25H,14-16H2,1-2H3,(H,28,34)