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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[2-(benzotriazol-1-yl)ethanoyl-(phenylmethyl)amino]-3-methyl-butanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[[2-(benzotriazol-1-yl)acetyl]-benzyl-amino]-3-methyl-butanamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[2-(1-benzotriazolyl)-1-oxoethyl]-(phenylmethyl)amino]-3-methylbutanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-3-methylbutanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[2-(benzotriazol-1-yl)acetyl]-benzyl-amino]-3-methyl-butyramide Formula: C27H27N5O4 MolecularWeight: 485.53438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27N5O4/c1-18(2)26(27(34)28-20-12-13-23-24(14-20)36-17-35-23)31(15-19-8-4-3-5-9-19)25(33)16-32-22-11-7-6-10-21(22)29-30-32/h3-14,18,26H,15-17H2,1-2H3,(H,28,34)