ethyl 4-[7-chloranyl-5-(2-fluorophenyl)-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[7-chloranyl-5-(2-fluorophenyl)-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[7-chloro-5-(2-fluorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]piperidine-1-carboxylate CAS Name: 4-[7-chloro-5-(2-fluorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[7-chloro-5-(2-fluorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]piperidine-1-carboxylate Traditional Name: 4-[7-chloro-5-(2-fluorophenyl)-2-keto-3H-1,4-benzodiazepin-1-yl]piperidine-1-carboxylic acid ethyl ester Formula: C23H23ClFN3O3 MolecularWeight: 443.898423

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)N2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4F

Isomeric SMILES

CCOC(=O)N1CCC(CC1)N2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4F

InChI

InChI=1S/C23H23ClFN3O3/c1-2-31-23(30)27-11-9-16(10-12-27)28-20-8-7-15(24)13-18(20)22(26-14-21(28)29)17-5-3-4-6-19(17)25/h3-8,13,16H,2,9-12,14H2,1H3