ethyl 1,3-bis(chloranyl)-4-[2-(8-oxidanylidene-4,7-dihydroimidazo[4,5-d][1,3]diazepin-3-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylate

Systemtic Name: ethyl 1,3-bis(chloranyl)-4-[2-(8-oxidanylidene-4,7-dihydroimidazo[4,5-d][1,3]diazepin-3-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylate Openeye Name: ethyl 5,7-dichloro-8-[2-(8-oxo-4,7-dihydroimidazo[4,5-d][1,3]diazepin-3-yl)ethyl]tetralin-6-carboxylate CAS Name: 1,3-dichloro-4-[2-(8-oxo-4,7-dihydroimidazo[4,5-d][1,3]diazepin-3-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 1,3-dichloro-4-[2-(8-oxo-4,7-dihydroimidazo[4,5-d][1,3]diazepin-3-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylate Traditional Name: 5,7-dichloro-8-[2-(8-keto-4,7-dihydroimidazo[4,5-d][1,3]diazepin-3-yl)ethyl]tetralin-6-carboxylic acid ethyl ester Formula: C21H22Cl2N4O3 MolecularWeight: 449.33038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(CCCC2)C(=C1Cl)CCN3C=NC4=C3NC=NCC4=O)Cl

Isomeric SMILES

CCOC(=O)C1=C(C2=C(CCCC2)C(=C1Cl)CCN3C=NC4=C3NC=NCC4=O)Cl

InChI

InChI=1S/C21H22Cl2N4O3/c1-2-30-21(29)16-17(22)13-6-4-3-5-12(13)14(18(16)23)7-8-27-11-26-19-15(28)9-24-10-25-20(19)27/h10-11H,2-9H2,1H3,(H,24,25)