methyl 7-(2,5-dimethylpyrrol-1-yl)-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate

Systemtic Name: methyl 7-(2,5-dimethylpyrrol-1-yl)-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate Openeye Name: methyl 7-(2,5-dimethylpyrrol-1-yl)-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate CAS Name: 7-(2,5-dimethyl-1-pyrrolyl)-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylic acid methyl ester IUPAC Name: methyl 7-(2,5-dimethylpyrrol-1-yl)-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate Traditional Name: 7-(2,5-dimethylpyrrol-1-yl)-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylic acid methyl ester Formula: C18H22N2O2 MolecularWeight: 298.37948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC3=C(CCN(CC3)C(=O)OC)C=C2)C

Isomeric SMILES

CC1=CC=C(N1C2=CC3=C(CCN(CC3)C(=O)OC)C=C2)C

InChI

InChI=1S/C18H22N2O2/c1-13-4-5-14(2)20(13)17-7-6-15-8-10-19(18(21)22-3)11-9-16(15)12-17/h4-7,12H,8-11H2,1-3H3