2-[4-(2-methylheptan-2-yl)phenyl]-3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazole

Systemtic Name: 2-[4-(2-methylheptan-2-yl)phenyl]-3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazole Openeye Name: 2-[4-(1,1-dimethylhexyl)phenyl]-3-phenyl-5-[(E)-styryl]-3,4-dihydropyrazole CAS Name: 2-[4-(2-methylheptan-2-yl)phenyl]-3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazole IUPAC Name: 2-[4-(2-methylheptan-2-yl)phenyl]-3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazole Traditional Name: 1-[4-(1,1-dimethylhexyl)phenyl]-5-phenyl-3-[(E)-styryl]-2-pyrazoline Formula: C31H36N2 MolecularWeight: 436.63094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(C)C1=CC=C(C=C1)N2C(CC(=N2)C=CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCCC(C)(C)C1=CC=C(C=C1)N2C(CC(=N2)/C=C/C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C31H36N2/c1-4-5-12-23-31(2,3)27-18-21-29(22-19-27)33-30(26-15-10-7-11-16-26)24-28(32-33)20-17-25-13-8-6-9-14-25/h6-11,13-22,30H,4-5,12,23-24H2,1-3H3/b20-17+