N-[6,12-bis(oxidanylidene)-5,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzodiazepin-8-yl]-3-chloranyl-4-fluoranyl-benzamide

Systemtic Name: N-[6,12-bis(oxidanylidene)-5,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzodiazepin-8-yl]-3-chloranyl-4-fluoranyl-benzamide Openeye Name: 3-chloro-N-(6,12-dioxo-5,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzodiazepin-8-yl)-4-fluoro-benzamide CAS Name: 3-chloro-N-(6,12-dioxo-5,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzodiazepin-8-yl)-4-fluorobenzamide IUPAC Name: 3-chloro-N-(6,12-dioxo-5,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzodiazepin-8-yl)-4-fluorobenzamide Traditional Name: 3-chloro-N-(6,12-diketo-5,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzodiazepin-8-yl)-4-fluoro-benzamide Formula: C20H17ClFN3O3 MolecularWeight: 401.818683

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2C(CC1NC(=O)C3=CC(=C(C=C3)F)Cl)C(=O)NC4=CC=CC=C4C2=O

Isomeric SMILES

C1CN2C(CC1NC(=O)C3=CC(=C(C=C3)F)Cl)C(=O)NC4=CC=CC=C4C2=O

InChI

InChI=1S/C20H17ClFN3O3/c21-14-9-11(5-6-15(14)22)18(26)23-12-7-8-25-17(10-12)19(27)24-16-4-2-1-3-13(16)20(25)28/h1-6,9,12,17H,7-8,10H2,(H,23,26)(H,24,27)