2-(4-chlorophenyl)-N-(2-dimethylaminoethyl)-4-(4-nitrophenyl)pyrimidine-5-carboxamide

Systemtic Name: 2-(4-chlorophenyl)-N-(2-dimethylaminoethyl)-4-(4-nitrophenyl)pyrimidine-5-carboxamide Openeye Name: 2-(4-chlorophenyl)-N-(2-dimethylaminoethyl)-4-(4-nitrophenyl)pyrimidine-5-carboxamide CAS Name: 2-(4-chlorophenyl)-N-(2-dimethylaminoethyl)-4-(4-nitrophenyl)-5-pyrimidinecarboxamide IUPAC Name: 2-(4-chlorophenyl)-N-(2-dimethylaminoethyl)-4-(4-nitrophenyl)pyrimidine-5-carboxamide Traditional Name: 2-(4-chlorophenyl)-N-(2-dimethylaminoethyl)-4-(4-nitrophenyl)pyrimidine-5-carboxamide Formula: C21H20ClN5O3 MolecularWeight: 425.8682

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC(=O)C1=CN=C(N=C1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)Cl

Isomeric SMILES

CN(C)CCNC(=O)C1=CN=C(N=C1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H20ClN5O3/c1-26(2)12-11-23-21(28)18-13-24-20(15-3-7-16(22)8-4-15)25-19(18)14-5-9-17(10-6-14)27(29)30/h3-10,13H,11-12H2,1-2H3,(H,23,28)