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

Systemtic Name: ethyl 2-[1-(4-azanyl-3-methoxy-phenyl)carbonyl-7-chloranyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl]ethanoate Openeye Name: ethyl 2-[1-(4-amino-3-methoxy-benzoyl)-7-chloro-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetate CAS Name: 2-[1-[(4-amino-3-methoxyphenyl)-oxomethyl]-7-chloro-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-(4-amino-3-methoxybenzoyl)-7-chloro-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetate Traditional Name: 2-[1-(4-amino-3-methoxy-benzoyl)-7-chloro-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetic acid ethyl ester Formula: C22H25ClN2O4 MolecularWeight: 416.8979

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN2O4/c1-3-29-21(26)12-14-5-4-10-25(19-9-7-16(23)13-17(14)19)22(27)15-6-8-18(24)20(11-15)28-2/h6-9,11,13-14H,3-5,10,12,24H2,1-2H3