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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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