methyl 3-but-2-ynoyl-7-oxidanylidene-9-propan-2-yloxy-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate

Systemtic Name: methyl 3-but-2-ynoyl-7-oxidanylidene-9-propan-2-yloxy-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate Openeye Name: methyl 3-but-2-ynoyl-9-isopropoxy-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate CAS Name: 7-oxo-3-(1-oxobut-2-ynyl)-9-propan-2-yloxy-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylic acid methyl ester IUPAC Name: methyl 3-but-2-ynoyl-7-oxo-9-propan-2-yloxy-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate Traditional Name: 3-but-2-ynoyl-9-isopropoxy-7-keto-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylic acid methyl ester Formula: C18H22N2O5 MolecularWeight: 346.37768

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(=O)N1CCC2=C(C(=CC(=O)N2CC1)OC(C)C)C(=O)OC

Isomeric SMILES

CC#CC(=O)N1CCC2=C(C(=CC(=O)N2CC1)OC(C)C)C(=O)OC

InChI

InChI=1S/C18H22N2O5/c1-5-6-15(21)19-8-7-13-17(18(23)24-4)14(25-12(2)3)11-16(22)20(13)10-9-19/h11-12H,7-10H2,1-4H3