[4-(2-butoxyethoxy)phenyl] 1-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,3-dihydro-1-benzazepine-5-carboxylate

Systemtic Name: [4-(2-butoxyethoxy)phenyl] 1-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,3-dihydro-1-benzazepine-5-carboxylate Openeye Name: [4-(2-butoxyethoxy)phenyl] 1-[(1-isopropylpyrazol-4-yl)methyl]-2,3-dihydro-1-benzazepine-5-carboxylate CAS Name: 1-[(1-propan-2-yl-4-pyrazolyl)methyl]-2,3-dihydro-1-benzazepine-5-carboxylic acid [4-(2-butoxyethoxy)phenyl] ester IUPAC Name: [4-(2-butoxyethoxy)phenyl] 1-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,3-dihydro-1-benzazepine-5-carboxylate Traditional Name: 1-[(1-isopropylpyrazol-4-yl)methyl]-2,3-dihydro-1-benzazepine-5-carboxylic acid [4-(2-butoxyethoxy)phenyl] ester Formula: C30H37N3O4 MolecularWeight: 503.63248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCOC1=CC=C(C=C1)OC(=O)C2=CCCN(C3=CC=CC=C23)CC4=CN(N=C4)C(C)C

Isomeric SMILES

CCCCOCCOC1=CC=C(C=C1)OC(=O)C2=CCCN(C3=CC=CC=C23)CC4=CN(N=C4)C(C)C

InChI

InChI=1S/C30H37N3O4/c1-4-5-17-35-18-19-36-25-12-14-26(15-13-25)37-30(34)28-10-8-16-32(29-11-7-6-9-27(28)29)21-24-20-31-33(22-24)23(2)3/h6-7,9-15,20,22-23H,4-5,8,16-19,21H2,1-3H3