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

Systemtic Name: methyl 2-[1-(4-azanyl-2-methyl-phenyl)carbonyl-7-chloranyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl]ethanoate Openeye Name: methyl 2-[1-(4-amino-2-methyl-benzoyl)-7-chloro-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetate CAS Name: 2-[1-[(4-amino-2-methylphenyl)-oxomethyl]-7-chloro-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetic acid methyl ester IUPAC Name: methyl 2-[1-(4-amino-2-methylbenzoyl)-7-chloro-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetate Traditional Name: 2-[1-(4-amino-2-methyl-benzoyl)-7-chloro-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetic acid methyl ester Formula: C21H23ClN2O3 MolecularWeight: 386.87192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N)C(=O)N2CCCC(C3=C2C=CC(=C3)Cl)CC(=O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)N)C(=O)N2CCCC(C3=C2C=CC(=C3)Cl)CC(=O)OC

InChI

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