2-[1-[2-[(4-tert-butylphenyl)methoxy]ethyl]pyrazol-4-yl]quinoline

Systemtic Name: 2-[1-[2-[(4-tert-butylphenyl)methoxy]ethyl]pyrazol-4-yl]quinoline Openeye Name: 2-[1-[2-[(4-tert-butylphenyl)methoxy]ethyl]pyrazol-4-yl]quinoline CAS Name: 2-[1-[2-[(4-tert-butylphenyl)methoxy]ethyl]-4-pyrazolyl]quinoline IUPAC Name: 2-[1-[2-[(4-tert-butylphenyl)methoxy]ethyl]pyrazol-4-yl]quinoline Traditional Name: 2-[1-[2-(4-tert-butylbenzyl)oxyethyl]pyrazol-4-yl]quinoline Formula: C25H27N3O MolecularWeight: 385.50138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)COCCN2C=C(C=N2)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)COCCN2C=C(C=N2)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H27N3O/c1-25(2,3)22-11-8-19(9-12-22)18-29-15-14-28-17-21(16-26-28)24-13-10-20-6-4-5-7-23(20)27-24/h4-13,16-17H,14-15,18H2,1-3H3