2-chloranyl-7-ethyl-12,13-dimethoxy-7,9,10,14b-tetrahydro-5H-isoquinolino[2,1-d][1,4]benzodiazepin-6-one

Systemtic Name: 2-chloranyl-7-ethyl-12,13-dimethoxy-7,9,10,14b-tetrahydro-5H-isoquinolino[2,1-d][1,4]benzodiazepin-6-one Openeye Name: 2-chloro-7-ethyl-12,13-dimethoxy-7,9,10,14b-tetrahydro-5H-isoquinolino[2,1-d][1,4]benzodiazepin-6-one CAS Name: 2-chloro-7-ethyl-12,13-dimethoxy-7,9,10,14b-tetrahydro-5H-isoquinolino[2,1-d][1,4]benzodiazepin-6-one IUPAC Name: 2-chloro-7-ethyl-12,13-dimethoxy-7,9,10,14b-tetrahydro-5H-isoquinolino[2,1-d][1,4]benzodiazepin-6-one Traditional Name: 2-chloro-7-ethyl-12,13-dimethoxy-7,9,10,14b-tetrahydro-5H-isoquinolino[2,1-d][1,4]benzodiazepin-6-one Formula: C21H23ClN2O3 MolecularWeight: 386.87192

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)NC2=C(C=C(C=C2)Cl)C3N1CCC4=CC(=C(C=C34)OC)OC

Isomeric SMILES

CCC1C(=O)NC2=C(C=C(C=C2)Cl)C3N1CCC4=CC(=C(C=C34)OC)OC

InChI

InChI=1S/C21H23ClN2O3/c1-4-17-21(25)23-16-6-5-13(22)10-15(16)20-14-11-19(27-3)18(26-2)9-12(14)7-8-24(17)20/h5-6,9-11,17,20H,4,7-8H2,1-3H3,(H,23,25)