1-[(1-ethylpyrazol-4-yl)methyl]-7-(4-propoxyphenyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid

Systemtic Name: 1-[(1-ethylpyrazol-4-yl)methyl]-7-(4-propoxyphenyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid Openeye Name: 1-[(1-ethylpyrazol-4-yl)methyl]-7-(4-propoxyphenyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid CAS Name: 1-[(1-ethyl-4-pyrazolyl)methyl]-7-(4-propoxyphenyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid IUPAC Name: 1-[(1-ethylpyrazol-4-yl)methyl]-7-(4-propoxyphenyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid Traditional Name: 1-[(1-ethylpyrazol-4-yl)methyl]-7-(4-propoxyphenyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid Formula: C26H29N3O3 MolecularWeight: 431.52676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=CC3=C(C=C2)N(CCC(=C3)C(=O)O)CC4=CN(N=C4)CC

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=CC3=C(C=C2)N(CCC(=C3)C(=O)O)CC4=CN(N=C4)CC

InChI

InChI=1S/C26H29N3O3/c1-3-13-32-24-8-5-20(6-9-24)21-7-10-25-23(14-21)15-22(26(30)31)11-12-28(25)17-19-16-27-29(4-2)18-19/h5-10,14-16,18H,3-4,11-13,17H2,1-2H3,(H,30,31)