1-(4-chlorophenyl)-2-(4-nitrophenyl)-3-(phenylmethyl)-1,3-diazinane

Systemtic Name: 1-(4-chlorophenyl)-2-(4-nitrophenyl)-3-(phenylmethyl)-1,3-diazinane Openeye Name: 1-benzyl-3-(4-chlorophenyl)-2-(4-nitrophenyl)hexahydropyrimidine CAS Name: 1-(4-chlorophenyl)-2-(4-nitrophenyl)-3-(phenylmethyl)-1,3-diazinane IUPAC Name: 1-benzyl-3-(4-chlorophenyl)-2-(4-nitrophenyl)-1,3-diazinane Traditional Name: 1-benzyl-3-(4-chlorophenyl)-2-(4-nitrophenyl)hexahydropyrimidine Formula: C23H22ClN3O2 MolecularWeight: 407.89268

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N(C1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

C1CN(C(N(C1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C23H22ClN3O2/c24-20-9-13-21(14-10-20)26-16-4-15-25(17-18-5-2-1-3-6-18)23(26)19-7-11-22(12-8-19)27(28)29/h1-3,5-14,23H,4,15-17H2