phenyl 2-[(4-azanylcyclohexyl)carbamoyl]-3-(3,4-dichlorophenyl)carbonyl-1,3-diazinane-1-carboxylate

Systemtic Name: phenyl 2-[(4-azanylcyclohexyl)carbamoyl]-3-(3,4-dichlorophenyl)carbonyl-1,3-diazinane-1-carboxylate Openeye Name: phenyl 2-[(4-aminocyclohexyl)carbamoyl]-3-(3,4-dichlorobenzoyl)hexahydropyrimidine-1-carboxylate CAS Name: 2-[[(4-aminocyclohexyl)amino]-oxomethyl]-3-[(3,4-dichlorophenyl)-oxomethyl]-1,3-diazinane-1-carboxylic acid phenyl ester IUPAC Name: phenyl 2-[(4-aminocyclohexyl)carbamoyl]-3-(3,4-dichlorobenzoyl)-1,3-diazinane-1-carboxylate Traditional Name: 2-[(4-aminocyclohexyl)carbamoyl]-3-(3,4-dichlorobenzoyl)hexahydropyrimidine-1-carboxylic acid phenyl ester Formula: C25H28Cl2N4O4 MolecularWeight: 519.42022

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N(C1)C(=O)OC2=CC=CC=C2)C(=O)NC3CCC(CC3)N)C(=O)C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

C1CN(C(N(C1)C(=O)OC2=CC=CC=C2)C(=O)NC3CCC(CC3)N)C(=O)C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C25H28Cl2N4O4/c26-20-12-7-16(15-21(20)27)24(33)30-13-4-14-31(25(34)35-19-5-2-1-3-6-19)23(30)22(32)29-18-10-8-17(28)9-11-18/h1-3,5-7,12,15,17-18,23H,4,8-11,13-14,28H2,(H,29,32)