2-(4-chlorophenyl)-1,3-bis[(1,3-diphenylpyrazol-4-yl)methyl]-1,3-diazinane

Systemtic Name: 2-(4-chlorophenyl)-1,3-bis[(1,3-diphenylpyrazol-4-yl)methyl]-1,3-diazinane Openeye Name: 2-(4-chlorophenyl)-1,3-bis[(1,3-diphenylpyrazol-4-yl)methyl]hexahydropyrimidine CAS Name: 2-(4-chlorophenyl)-1,3-bis[(1,3-diphenyl-4-pyrazolyl)methyl]-1,3-diazinane IUPAC Name: 2-(4-chlorophenyl)-1,3-bis[(1,3-diphenylpyrazol-4-yl)methyl]-1,3-diazinane Traditional Name: 2-(4-chlorophenyl)-1,3-bis[(1,3-diphenylpyrazol-4-yl)methyl]hexahydropyrimidine Formula: C42H37ClN6 MolecularWeight: 661.23638

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N(C1)CC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=C(C=C5)Cl)CC6=CN(N=C6C7=CC=CC=C7)C8=CC=CC=C8

Isomeric SMILES

C1CN(C(N(C1)CC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=C(C=C5)Cl)CC6=CN(N=C6C7=CC=CC=C7)C8=CC=CC=C8

InChI

InChI=1S/C42H37ClN6/c43-37-24-22-34(23-25-37)42-46(28-35-30-48(38-18-9-3-10-19-38)44-40(35)32-14-5-1-6-15-32)26-13-27-47(42)29-36-31-49(39-20-11-4-12-21-39)45-41(36)33-16-7-2-8-17-33/h1-12,14-25,30-31,42H,13,26-29H2