(9-butyl-2-chloranyl-8-oxidanylidene-6,7-dihydro-5H-pyrido[2,3-b]azepin-5-yl)methyl ethanoate

Systemtic Name: (9-butyl-2-chloranyl-8-oxidanylidene-6,7-dihydro-5H-pyrido[2,3-b]azepin-5-yl)methyl ethanoate Openeye Name: (9-butyl-2-chloro-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-5-yl)methyl acetate CAS Name: acetic acid (9-butyl-2-chloro-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-5-yl)methyl ester IUPAC Name: (9-butyl-2-chloro-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-5-yl)methyl acetate Traditional Name: acetic acid (9-butyl-2-chloro-8-keto-6,7-dihydro-5H-pyrid[2,3-b]azepin-5-yl)methyl ester Formula: C16H21ClN2O3 MolecularWeight: 324.80254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)CCC(C2=C1N=C(C=C2)Cl)COC(=O)C

Isomeric SMILES

CCCCN1C(=O)CCC(C2=C1N=C(C=C2)Cl)COC(=O)C

InChI

InChI=1S/C16H21ClN2O3/c1-3-4-9-19-15(21)8-5-12(10-22-11(2)20)13-6-7-14(17)18-16(13)19/h6-7,12H,3-5,8-10H2,1-2H3