N-[2-[[4-(4-cyanophenyl)-5-(1H-imidazol-5-yl)pyrimidin-2-yl]amino]ethyl]-3-nitro-benzamide

Systemtic Name: N-[2-[[4-(4-cyanophenyl)-5-(1H-imidazol-5-yl)pyrimidin-2-yl]amino]ethyl]-3-nitro-benzamide Openeye Name: N-[2-[[4-(4-cyanophenyl)-5-(1H-imidazol-5-yl)pyrimidin-2-yl]amino]ethyl]-3-nitro-benzamide CAS Name: N-[2-[[4-(4-cyanophenyl)-5-(1H-imidazol-5-yl)-2-pyrimidinyl]amino]ethyl]-3-nitrobenzamide IUPAC Name: N-[2-[[4-(4-cyanophenyl)-5-(1H-imidazol-5-yl)pyrimidin-2-yl]amino]ethyl]-3-nitrobenzamide Traditional Name: N-[2-[[4-(4-cyanophenyl)-5-(1H-imidazol-5-yl)pyrimidin-2-yl]amino]ethyl]-3-nitro-benzamide Formula: C23H18N8O3 MolecularWeight: 454.44082

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NCCNC2=NC=C(C(=N2)C3=CC=C(C=C3)C#N)C4=CN=CN4

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NCCNC2=NC=C(C(=N2)C3=CC=C(C=C3)C#N)C4=CN=CN4

InChI

InChI=1S/C23H18N8O3/c24-11-15-4-6-16(7-5-15)21-19(20-13-25-14-29-20)12-28-23(30-21)27-9-8-26-22(32)17-2-1-3-18(10-17)31(33)34/h1-7,10,12-14H,8-9H2,(H,25,29)(H,26,32)(H,27,28,30)