N-[(2S)-1-[1-benzofuran-5-ylmethyl(2-methylpropyl)amino]-1-oxidanylidene-3-pyrazol-1-yl-propan-2-yl]-3,3-dimethyl-butanamide

Systemtic Name: N-[(2S)-1-[1-benzofuran-5-ylmethyl(2-methylpropyl)amino]-1-oxidanylidene-3-pyrazol-1-yl-propan-2-yl]-3,3-dimethyl-butanamide Openeye Name: N-[(1S)-2-[benzofuran-5-ylmethyl(isobutyl)amino]-2-oxo-1-(pyrazol-1-ylmethyl)ethyl]-3,3-dimethyl-butanamide CAS Name: N-[(2S)-1-[5-benzofuranylmethyl(2-methylpropyl)amino]-1-oxo-3-(1-pyrazolyl)propan-2-yl]-3,3-dimethylbutanamide IUPAC Name: N-[(2S)-1-[1-benzofuran-5-ylmethyl(2-methylpropyl)amino]-1-oxo-3-pyrazol-1-ylpropan-2-yl]-3,3-dimethylbutanamide Traditional Name: N-[(1S)-2-[benzofuran-5-ylmethyl(isobutyl)amino]-2-keto-1-(pyrazol-1-ylmethyl)ethyl]-3,3-dimethyl-butyramide Formula: C25H34N4O3 MolecularWeight: 438.56246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC2=C(C=C1)OC=C2)C(=O)C(CN3C=CC=N3)NC(=O)CC(C)(C)C

Isomeric SMILES

CC(C)CN(CC1=CC2=C(C=C1)OC=C2)C(=O)[C@H](CN3C=CC=N3)NC(=O)CC(C)(C)C

InChI

InChI=1S/C25H34N4O3/c1-18(2)15-28(16-19-7-8-22-20(13-19)9-12-32-22)24(31)21(17-29-11-6-10-26-29)27-23(30)14-25(3,4)5/h6-13,18,21H,14-17H2,1-5H3,(H,27,30)/t21-/m0/s1