methyl 7-[4-(2-butoxyethoxy)phenyl]-1-[(1-ethylpyrazol-4-yl)methyl]-2,3-dihydro-1-benzazepine-5-carboxylate

Systemtic Name: methyl 7-[4-(2-butoxyethoxy)phenyl]-1-[(1-ethylpyrazol-4-yl)methyl]-2,3-dihydro-1-benzazepine-5-carboxylate Openeye Name: methyl 7-[4-(2-butoxyethoxy)phenyl]-1-[(1-ethylpyrazol-4-yl)methyl]-2,3-dihydro-1-benzazepine-5-carboxylate CAS Name: 7-[4-(2-butoxyethoxy)phenyl]-1-[(1-ethyl-4-pyrazolyl)methyl]-2,3-dihydro-1-benzazepine-5-carboxylic acid methyl ester IUPAC Name: methyl 7-[4-(2-butoxyethoxy)phenyl]-1-[(1-ethylpyrazol-4-yl)methyl]-2,3-dihydro-1-benzazepine-5-carboxylate Traditional Name: 7-[4-(2-butoxyethoxy)phenyl]-1-[(1-ethylpyrazol-4-yl)methyl]-2,3-dihydro-1-benzazepine-5-carboxylic acid methyl ester Formula: C30H37N3O4 MolecularWeight: 503.63248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCOC1=CC=C(C=C1)C2=CC3=C(C=C2)N(CCC=C3C(=O)OC)CC4=CN(N=C4)CC

Isomeric SMILES

CCCCOCCOC1=CC=C(C=C1)C2=CC3=C(C=C2)N(CCC=C3C(=O)OC)CC4=CN(N=C4)CC

InChI

InChI=1S/C30H37N3O4/c1-4-6-16-36-17-18-37-26-12-9-24(10-13-26)25-11-14-29-28(19-25)27(30(34)35-3)8-7-15-32(29)21-23-20-31-33(5-2)22-23/h8-14,19-20,22H,4-7,15-18,21H2,1-3H3