N-[4-[5-(1,3-benzodioxol-5-yl)-3-methoxy-1,2,4-triazol-1-yl]phenyl]-3-methyl-butanamide

Systemtic Name: N-[4-[5-(1,3-benzodioxol-5-yl)-3-methoxy-1,2,4-triazol-1-yl]phenyl]-3-methyl-butanamide Openeye Name: N-[4-[5-(1,3-benzodioxol-5-yl)-3-methoxy-1,2,4-triazol-1-yl]phenyl]-3-methyl-butanamide CAS Name: N-[4-[5-(1,3-benzodioxol-5-yl)-3-methoxy-1,2,4-triazol-1-yl]phenyl]-3-methylbutanamide IUPAC Name: N-[4-[5-(1,3-benzodioxol-5-yl)-3-methoxy-1,2,4-triazol-1-yl]phenyl]-3-methylbutanamide Traditional Name: N-[4-[5-(1,3-benzodioxol-5-yl)-3-methoxy-1,2,4-triazol-1-yl]phenyl]-3-methyl-butyramide Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)N2C(=NC(=N2)OC)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)N2C(=NC(=N2)OC)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H22N4O4/c1-13(2)10-19(26)22-15-5-7-16(8-6-15)25-20(23-21(24-25)27-3)14-4-9-17-18(11-14)29-12-28-17/h4-9,11,13H,10,12H2,1-3H3,(H,22,26)