(4S,5R)-4-(4-butoxyphenyl)-5-(4-chlorophenyl)carbonyl-6-methylidene-1,3-diazinan-2-one

Systemtic Name: (4S,5R)-4-(4-butoxyphenyl)-5-(4-chlorophenyl)carbonyl-6-methylidene-1,3-diazinan-2-one Openeye Name: (4S,5R)-4-(4-butoxyphenyl)-5-(4-chlorobenzoyl)-6-methylene-hexahydropyrimidin-2-one CAS Name: (4S,5R)-4-(4-butoxyphenyl)-5-[(4-chlorophenyl)-oxomethyl]-6-methylene-1,3-diazinan-2-one IUPAC Name: (4S,5R)-4-(4-butoxyphenyl)-5-(4-chlorobenzoyl)-6-methylidene-1,3-diazinan-2-one Traditional Name: (4S,5R)-4-(4-butoxyphenyl)-5-(4-chlorobenzoyl)-6-methylene-hexahydropyrimidin-2-one Formula: C22H23ClN2O3 MolecularWeight: 398.88262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2C(C(=C)NC(=O)N2)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCOC1=CC=C(C=C1)[C@@H]2[C@H](C(=C)NC(=O)N2)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H23ClN2O3/c1-3-4-13-28-18-11-7-15(8-12-18)20-19(14(2)24-22(27)25-20)21(26)16-5-9-17(23)10-6-16/h5-12,19-20H,2-4,13H2,1H3,(H2,24,25,27)/t19-,20+/m0/s1