prop-2-enyl (4R,5S)-4-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: prop-2-enyl (4R,5S)-4-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: allyl (4R,5S)-4-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (4R,5S)-4-[3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (4R,5S)-4-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (4R,5S)-4-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid allyl ester Formula: C24H21ClN4O3 MolecularWeight: 448.90154

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)C1C(NC(=O)NC1=C)C2=CN(N=C2C3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

C=CCOC(=O)[C@H]1[C@@H](NC(=O)NC1=C)C2=CN(N=C2C3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C24H21ClN4O3/c1-3-13-32-23(30)20-15(2)26-24(31)27-22(20)19-14-29(18-7-5-4-6-8-18)28-21(19)16-9-11-17(25)12-10-16/h3-12,14,20,22H,1-2,13H2,(H2,26,27,31)/t20-,22+/m1/s1