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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[2-(benzotriazol-1-yl)ethanoyl-(pyridin-3-ylmethyl)amino]butanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[[2-(benzotriazol-1-yl)acetyl]-(3-pyridylmethyl)amino]butanamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[2-(1-benzotriazolyl)-1-oxoethyl]-(3-pyridinylmethyl)amino]butanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[[2-(benzotriazol-1-yl)acetyl]-(pyridin-3-ylmethyl)amino]butanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[2-(benzotriazol-1-yl)acetyl]-(3-pyridylmethyl)amino]butyramide Formula: C25H24N6O4 MolecularWeight: 472.49586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24N6O4/c1-2-20(25(33)27-18-9-10-22-23(12-18)35-16-34-22)30(14-17-6-5-11-26-13-17)24(32)15-31-21-8-4-3-7-19(21)28-29-31/h3-13,20H,2,14-16H2,1H3,(H,27,33)