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

Systemtic Name: methyl 2-[1-(4-aminophenyl)carbonyl-7-chloranyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl]ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H21ClN2O3 MolecularWeight: 372.84534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN2O3/c1-26-19(24)11-14-3-2-10-23(18-9-6-15(21)12-17(14)18)20(25)13-4-7-16(22)8-5-13/h4-9,12,14H,2-3,10-11,22H2,1H3