6-chloranyl-2-[3-(1,3-diphenylpyrazol-4-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-quinazoline

Systemtic Name: 6-chloranyl-2-[3-(1,3-diphenylpyrazol-4-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-quinazoline Openeye Name: 6-chloro-2-[3-(1,3-diphenylpyrazol-4-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-quinazoline CAS Name: 6-chloro-2-[3-(1,3-diphenyl-4-pyrazolyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline IUPAC Name: 6-chloro-2-[3-(1,3-diphenylpyrazol-4-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline Traditional Name: 6-chloro-2-[5-(1,3-diphenylpyrazol-4-yl)-3-(4-methoxyphenyl)-2-pyrazolin-1-yl]-4-phenyl-quinazoline Formula: C39H29ClN6O MolecularWeight: 633.14016

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(C2)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5)C6=NC7=C(C=C(C=C7)Cl)C(=N6)C8=CC=CC=C8

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(C2)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5)C6=NC7=C(C=C(C=C7)Cl)C(=N6)C8=CC=CC=C8

InChI

InChI=1S/C39H29ClN6O/c1-47-31-20-17-26(18-21-31)35-24-36(33-25-45(30-15-9-4-10-16-30)44-38(33)28-13-7-3-8-14-28)46(43-35)39-41-34-22-19-29(40)23-32(34)37(42-39)27-11-5-2-6-12-27/h2-23,25,36H,24H2,1H3