ethyl 2-[1-(4-aminophenyl)carbonyl-7-chloranyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl]ethanoate

Systemtic Name: ethyl 2-[1-(4-aminophenyl)carbonyl-7-chloranyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl]ethanoate Openeye Name: ethyl 2-[1-(4-aminobenzoyl)-7-chloro-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetate CAS Name: 2-[1-[(4-aminophenyl)-oxomethyl]-7-chloro-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-(4-aminobenzoyl)-7-chloro-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetate Traditional Name: 2-[1-(4-aminobenzoyl)-7-chloro-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetic acid ethyl ester Formula: C21H23ClN2O3 MolecularWeight: 386.87192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1CCCN(C2=C1C=C(C=C2)Cl)C(=O)C3=CC=C(C=C3)N

Isomeric SMILES

CCOC(=O)CC1CCCN(C2=C1C=C(C=C2)Cl)C(=O)C3=CC=C(C=C3)N

InChI

InChI=1S/C21H23ClN2O3/c1-2-27-20(25)12-15-4-3-11-24(19-10-7-16(22)13-18(15)19)21(26)14-5-8-17(23)9-6-14/h5-10,13,15H,2-4,11-12,23H2,1H3