(5aR)-8-chloranyl-11-methyl-2,3,4,5,5a,6-hexahydro-1H-[1,4]diazepino[1,7-a]quinazolin-7-one

Systemtic Name: (5aR)-8-chloranyl-11-methyl-2,3,4,5,5a,6-hexahydro-1H-[1,4]diazepino[1,7-a]quinazolin-7-one Openeye Name: (5aR)-8-chloro-11-methyl-2,3,4,5,5a,6-hexahydro-1H-[1,4]diazepino[1,7-a]quinazolin-7-one CAS Name: (5aR)-8-chloro-11-methyl-2,3,4,5,5a,6-hexahydro-1H-[1,4]diazepino[1,7-a]quinazolin-7-one IUPAC Name: (5aR)-8-chloro-11-methyl-2,3,4,5,5a,6-hexahydro-1H-[1,4]diazepino[1,7-a]quinazolin-7-one Traditional Name: (5aR)-8-chloro-11-methyl-2,3,4,5,5a,6-hexahydro-1H-[1,4]diazepino[1,7-a]quinazolin-7-one Formula: C13H16ClN3O MolecularWeight: 265.73864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)Cl)C(=O)NC3N2CCNCC3

Isomeric SMILES

CC1=C2C(=C(C=C1)Cl)C(=O)N[C@@H]3N2CCNCC3

InChI

InChI=1S/C13H16ClN3O/c1-8-2-3-9(14)11-12(8)17-7-6-15-5-4-10(17)16-13(11)18/h2-3,10,15H,4-7H2,1H3,(H,16,18)/t10-/m1/s1