methyl (4S,5R)-5-benzamido-4-(1-methylpyrrol-2-yl)-3,4-dihydropyrazole-5-carboxylate

Systemtic Name: methyl (4S,5R)-5-benzamido-4-(1-methylpyrrol-2-yl)-3,4-dihydropyrazole-5-carboxylate Openeye Name: methyl (4S,5R)-5-benzamido-4-(1-methylpyrrol-2-yl)-3,4-dihydropyrazole-5-carboxylate CAS Name: (4S,5R)-5-benzamido-4-(1-methyl-2-pyrrolyl)-3,4-dihydropyrazole-5-carboxylic acid methyl ester IUPAC Name: methyl (4S,5R)-5-benzamido-4-(1-methylpyrrol-2-yl)-3,4-dihydropyrazole-5-carboxylate Traditional Name: (3R,4S)-3-benzamido-4-(1-methylpyrrol-2-yl)-1-pyrazoline-3-carboxylic acid methyl ester Formula: C17H18N4O3 MolecularWeight: 326.34982

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2CN=NC2(C(=O)OC)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CN1C=CC=C1[C@@H]2CN=N[C@]2(C(=O)OC)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H18N4O3/c1-21-10-6-9-14(21)13-11-18-20-17(13,16(23)24-2)19-15(22)12-7-4-3-5-8-12/h3-10,13H,11H2,1-2H3,(H,19,22)/t13-,17+/m0/s1