methyl 7-[4-(1-butoxyethoxy)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1-benzazepine-4-carboxylate

Systemtic Name: methyl 7-[4-(1-butoxyethoxy)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1-benzazepine-4-carboxylate Openeye Name: methyl 7-[4-(1-butoxyethoxy)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1-benzazepine-4-carboxylate CAS Name: 7-[4-(1-butoxyethoxy)phenyl]-1-[(1-methyl-4-pyrazolyl)methyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid methyl ester IUPAC Name: methyl 7-[4-(1-butoxyethoxy)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1-benzazepine-4-carboxylate Traditional Name: 7-[4-(1-butoxyethoxy)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid methyl ester Formula: C29H35N3O4 MolecularWeight: 489.6059

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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)OC)CC4=CN(N=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C29H35N3O4/c1-5-6-15-35-21(2)36-27-10-7-23(8-11-27)24-9-12-28-26(16-24)17-25(29(33)34-4)13-14-32(28)20-22-18-30-31(3)19-22/h7-12,16-19,21H,5-6,13-15,20H2,1-4H3