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

Systemtic Name: methyl 7-[4-(1-butoxyethoxy)phenyl]-1-[(1-ethylpyrazol-4-yl)methyl]-2,3-dihydro-1-benzazepine-4-carboxylate Openeye Name: methyl 7-[4-(1-butoxyethoxy)phenyl]-1-[(1-ethylpyrazol-4-yl)methyl]-2,3-dihydro-1-benzazepine-4-carboxylate CAS Name: 7-[4-(1-butoxyethoxy)phenyl]-1-[(1-ethyl-4-pyrazolyl)methyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid methyl ester IUPAC Name: methyl 7-[4-(1-butoxyethoxy)phenyl]-1-[(1-ethylpyrazol-4-yl)methyl]-2,3-dihydro-1-benzazepine-4-carboxylate Traditional Name: 7-[4-(1-butoxyethoxy)phenyl]-1-[(1-ethylpyrazol-4-yl)methyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid methyl ester 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)OC)CC4=CN(N=C4)CC

Isomeric SMILES

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

InChI

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