3,4-dihydro-2H-quinolin-1-yl-[3-(3,4-dimethoxyphenyl)-1-(phenylmethyl)pyrazol-4-yl]methanone

Systemtic Name: 3,4-dihydro-2H-quinolin-1-yl-[3-(3,4-dimethoxyphenyl)-1-(phenylmethyl)pyrazol-4-yl]methanone Openeye Name: [1-benzyl-3-(3,4-dimethoxyphenyl)pyrazol-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone CAS Name: 3,4-dihydro-2H-quinolin-1-yl-[3-(3,4-dimethoxyphenyl)-1-(phenylmethyl)-4-pyrazolyl]methanone IUPAC Name: [1-benzyl-3-(3,4-dimethoxyphenyl)pyrazol-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone Traditional Name: [1-benzyl-3-(3,4-dimethoxyphenyl)pyrazol-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone Formula: C28H27N3O3 MolecularWeight: 453.53228

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C(=O)N3CCCC4=CC=CC=C43)CC5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2C(=O)N3CCCC4=CC=CC=C43)CC5=CC=CC=C5)OC

InChI

InChI=1S/C28H27N3O3/c1-33-25-15-14-22(17-26(25)34-2)27-23(19-30(29-27)18-20-9-4-3-5-10-20)28(32)31-16-8-12-21-11-6-7-13-24(21)31/h3-7,9-11,13-15,17,19H,8,12,16,18H2,1-2H3