(5aS)-8,9-bis(chloranyl)-5a-ethyl-1,2,3,4,5,6-hexahydro-[1,4]diazepino[1,7-a]quinazolin-7-one

Systemtic Name: (5aS)-8,9-bis(chloranyl)-5a-ethyl-1,2,3,4,5,6-hexahydro-[1,4]diazepino[1,7-a]quinazolin-7-one Openeye Name: (5aS)-8,9-dichloro-5a-ethyl-1,2,3,4,5,6-hexahydro-[1,4]diazepino[1,7-a]quinazolin-7-one CAS Name: (5aS)-8,9-dichloro-5a-ethyl-1,2,3,4,5,6-hexahydro-[1,4]diazepino[1,7-a]quinazolin-7-one IUPAC Name: (5aS)-8,9-dichloro-5a-ethyl-1,2,3,4,5,6-hexahydro-[1,4]diazepino[1,7-a]quinazolin-7-one Traditional Name: (5aS)-8,9-dichloro-5a-ethyl-1,2,3,4,5,6-hexahydro-[1,4]diazepino[1,7-a]quinazolin-7-one Formula: C14H17Cl2N3O MolecularWeight: 314.21028

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Descriptors Computed from Structure

Canonical SMILES:

CCC12CCNCCN1C3=C(C(=C(C=C3)Cl)Cl)C(=O)N2

Isomeric SMILES

CC[C@@]12CCNCCN1C3=C(C(=C(C=C3)Cl)Cl)C(=O)N2

InChI

InChI=1S/C14H17Cl2N3O/c1-2-14-5-6-17-7-8-19(14)10-4-3-9(15)12(16)11(10)13(20)18-14/h3-4,17H,2,5-8H2,1H3,(H,18,20)/t14-/m0/s1