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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-3-methyl-2-[2-phenylethanoyl(pyridin-3-ylmethyl)amino]butanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-3-methyl-2-[(2-phenylacetyl)-(3-pyridylmethyl)amino]butanamide CAS Name: N-(1,3-benzodioxol-5-yl)-3-methyl-2-[(1-oxo-2-phenylethyl)-(3-pyridinylmethyl)amino]butanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-3-methyl-2-[(2-phenylacetyl)-(pyridin-3-ylmethyl)amino]butanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-3-methyl-2-[(2-phenylacetyl)-(3-pyridylmethyl)amino]butyramide Formula: C26H27N3O4 MolecularWeight: 445.51028

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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)CC4=CC=CC=C4

Isomeric SMILES

CC(C)C(C(=O)NC1=CC2=C(C=C1)OCO2)N(CC3=CN=CC=C3)C(=O)CC4=CC=CC=C4

InChI

InChI=1S/C26H27N3O4/c1-18(2)25(26(31)28-21-10-11-22-23(14-21)33-17-32-22)29(16-20-9-6-12-27-15-20)24(30)13-19-7-4-3-5-8-19/h3-12,14-15,18,25H,13,16-17H2,1-2H3,(H,28,31)