N-[5-(4-chlorophenyl)-7-(4-methoxyphenyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-nitro-benzamide

Systemtic Name: N-[5-(4-chlorophenyl)-7-(4-methoxyphenyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-nitro-benzamide Openeye Name: N-[5-(4-chlorophenyl)-7-(4-methoxyphenyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-nitro-benzamide CAS Name: N-[5-(4-chlorophenyl)-7-(4-methoxyphenyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-nitrobenzamide IUPAC Name: N-[5-(4-chlorophenyl)-7-(4-methoxyphenyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-nitrobenzamide Traditional Name: N-[5-(4-chlorophenyl)-7-(4-methoxyphenyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-nitro-benzamide Formula: C25H19ClN6O4 MolecularWeight: 502.90916

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C=C(N=C3N2NC(=N3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-])C5=CC=C(C=C5)Cl

Isomeric SMILES

COC1=CC=C(C=C1)C2C=C(N=C3N2NC(=N3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-])C5=CC=C(C=C5)Cl

InChI

InChI=1S/C25H19ClN6O4/c1-36-20-11-7-16(8-12-20)22-14-21(15-5-9-18(26)10-6-15)27-25-29-24(30-31(22)25)28-23(33)17-3-2-4-19(13-17)32(34)35/h2-14,22H,1H3,(H2,27,28,29,30,33)