bis(phenylmethyl) 4-[3-[4-[(2-chlorophenyl)methoxy]phenyl]-1-phenyl-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: bis(phenylmethyl) 4-[3-[4-[(2-chlorophenyl)methoxy]phenyl]-1-phenyl-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: dibenzyl 4-[3-[4-[(2-chlorophenyl)methoxy]phenyl]-1-phenyl-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-[3-[4-[(2-chlorophenyl)methoxy]phenyl]-1-phenyl-4-pyrazolyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 4-[3-[4-[(2-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-[3-[4-(2-chlorobenzyl)oxyphenyl]-1-phenyl-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid dibenzyl ester Formula: C45H38ClN3O5 MolecularWeight: 736.25332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OCC2=CC=CC=C2)C3=CN(N=C3C4=CC=C(C=C4)OCC5=CC=CC=C5Cl)C6=CC=CC=C6)C(=O)OCC7=CC=CC=C7

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OCC2=CC=CC=C2)C3=CN(N=C3C4=CC=C(C=C4)OCC5=CC=CC=C5Cl)C6=CC=CC=C6)C(=O)OCC7=CC=CC=C7

InChI

InChI=1S/C45H38ClN3O5/c1-30-40(44(50)53-27-32-14-6-3-7-15-32)42(41(31(2)47-30)45(51)54-28-33-16-8-4-9-17-33)38-26-49(36-19-10-5-11-20-36)48-43(38)34-22-24-37(25-23-34)52-29-35-18-12-13-21-39(35)46/h3-26,42,47H,27-29H2,1-2H3