methyl 1-tert-butyl-3-(4-chlorophenyl)-2-(4-chlorophenyl)imino-1,3-diazinane-4-carboxylate

Systemtic Name: methyl 1-tert-butyl-3-(4-chlorophenyl)-2-(4-chlorophenyl)imino-1,3-diazinane-4-carboxylate Openeye Name: methyl 1-tert-butyl-3-(4-chlorophenyl)-2-(4-chlorophenyl)imino-hexahydropyrimidine-4-carboxylate CAS Name: 1-tert-butyl-3-(4-chlorophenyl)-2-(4-chlorophenyl)imino-1,3-diazinane-4-carboxylic acid methyl ester IUPAC Name: methyl 1-tert-butyl-3-(4-chlorophenyl)-2-(4-chlorophenyl)imino-1,3-diazinane-4-carboxylate Traditional Name: 1-tert-butyl-3-(4-chlorophenyl)-2-(4-chlorophenyl)imino-hexahydropyrimidine-4-carboxylic acid methyl ester Formula: C22H25Cl2N3O2 MolecularWeight: 434.3588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1CCC(N(C1=NC2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)C(=O)OC

Isomeric SMILES

CC(C)(C)N1CCC(N(C1=NC2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)C(=O)OC

InChI

InChI=1S/C22H25Cl2N3O2/c1-22(2,3)26-14-13-19(20(28)29-4)27(18-11-7-16(24)8-12-18)21(26)25-17-9-5-15(23)6-10-17/h5-12,19H,13-14H2,1-4H3