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

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

Systemtic Name:methyl 2-[1-(4-azanyl-2-chloranyl-phenyl)carbonyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl]ethanoate
Openeye Name:methyl 2-[1-(4-amino-2-chloro-benzoyl)-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetate
CAS Name:2-[1-[(4-amino-2-chlorophenyl)-oxomethyl]-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetic acid methyl ester
IUPAC Name:methyl 2-[1-(4-amino-2-chlorobenzoyl)-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetate
Traditional Name:2-[1-(4-amino-2-chloro-benzoyl)-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=CC=CC=C12)C(=O)C3=C(C=C(C=C3)N)Cl


Isomeric SMILES

COC(=O)CC1CCCN(C2=CC=CC=C12)C(=O)C3=C(C=C(C=C3)N)Cl


InChI

InChI=1S/C20H21ClN2O3/c1-26-19(24)11-13-5-4-10-23(18-7-3-2-6-15(13)18)20(25)16-9-8-14(22)12-17(16)21/h2-3,6-9,12-13H,4-5,10-11,22H2,1H3


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