7-[4-(1-butoxyethoxy)phenyl]-1-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid

Systemtic Name: 7-[4-(1-butoxyethoxy)phenyl]-1-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid Openeye Name: 7-[4-(1-butoxyethoxy)phenyl]-1-[(1-isopropylpyrazol-4-yl)methyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid CAS Name: 7-[4-(1-butoxyethoxy)phenyl]-1-[(1-propan-2-yl-4-pyrazolyl)methyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid IUPAC Name: 7-[4-(1-butoxyethoxy)phenyl]-1-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid Traditional Name: 7-[4-(1-butoxyethoxy)phenyl]-1-[(1-isopropylpyrazol-4-yl)methyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid Formula: C30H37N3O4 MolecularWeight: 503.63248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(C)OC1=CC=C(C=C1)C2=CC3=C(C=C2)N(CCC(=C3)C(=O)O)CC4=CN(N=C4)C(C)C

Isomeric SMILES

CCCCOC(C)OC1=CC=C(C=C1)C2=CC3=C(C=C2)N(CCC(=C3)C(=O)O)CC4=CN(N=C4)C(C)C

InChI

InChI=1S/C30H37N3O4/c1-5-6-15-36-22(4)37-28-10-7-24(8-11-28)25-9-12-29-27(16-25)17-26(30(34)35)13-14-32(29)19-23-18-31-33(20-23)21(2)3/h7-12,16-18,20-22H,5-6,13-15,19H2,1-4H3,(H,34,35)