(1-ethylpyrazol-4-yl)methyl 7-(4-propoxyphenyl)-2,3-dihydro-1H-1-benzazepine-4-carboxylate

Systemtic Name: (1-ethylpyrazol-4-yl)methyl 7-(4-propoxyphenyl)-2,3-dihydro-1H-1-benzazepine-4-carboxylate Openeye Name: (1-ethylpyrazol-4-yl)methyl 7-(4-propoxyphenyl)-2,3-dihydro-1H-1-benzazepine-4-carboxylate CAS Name: 7-(4-propoxyphenyl)-2,3-dihydro-1H-1-benzazepine-4-carboxylic acid (1-ethyl-4-pyrazolyl)methyl ester IUPAC Name: (1-ethylpyrazol-4-yl)methyl 7-(4-propoxyphenyl)-2,3-dihydro-1H-1-benzazepine-4-carboxylate Traditional Name: 7-(4-propoxyphenyl)-2,3-dihydro-1H-1-benzazepine-4-carboxylic acid (1-ethylpyrazol-4-yl)methyl ester 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)NCCC(=C3)C(=O)OCC4=CN(N=C4)CC

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=CC3=C(C=C2)NCCC(=C3)C(=O)OCC4=CN(N=C4)CC

InChI

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