methyl 2-[1-(6-azanylpyridin-3-yl)carbonyl-7-chloranyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl]ethanoate

Systemtic Name: methyl 2-[1-(6-azanylpyridin-3-yl)carbonyl-7-chloranyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl]ethanoate Openeye Name: methyl 2-[1-(6-aminopyridine-3-carbonyl)-7-chloro-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetate CAS Name: 2-[1-[(6-amino-3-pyridinyl)-oxomethyl]-7-chloro-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetic acid methyl ester IUPAC Name: methyl 2-[1-(6-aminopyridine-3-carbonyl)-7-chloro-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetate Traditional Name: 2-[1-(6-aminonicotinoyl)-7-chloro-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetic acid methyl ester Formula: C19H20ClN3O3 MolecularWeight: 373.8334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClN3O3/c1-26-18(24)9-12-3-2-8-23(16-6-5-14(20)10-15(12)16)19(25)13-4-7-17(21)22-11-13/h4-7,10-12H,2-3,8-9H2,1H3,(H2,21,22)