9-chloranyl-5-(2-fluorophenyl)-1-(1-methylpiperidin-4-yl)-3H-1,4-benzodiazepin-2-one

Systemtic Name: 9-chloranyl-5-(2-fluorophenyl)-1-(1-methylpiperidin-4-yl)-3H-1,4-benzodiazepin-2-one Openeye Name: 9-chloro-5-(2-fluorophenyl)-1-(1-methyl-4-piperidyl)-3H-1,4-benzodiazepin-2-one CAS Name: 9-chloro-5-(2-fluorophenyl)-1-(1-methyl-4-piperidinyl)-3H-1,4-benzodiazepin-2-one IUPAC Name: 9-chloro-5-(2-fluorophenyl)-1-(1-methylpiperidin-4-yl)-3H-1,4-benzodiazepin-2-one Traditional Name: 9-chloro-5-(2-fluorophenyl)-1-(1-methyl-4-piperidyl)-3H-1,4-benzodiazepin-2-one Formula: C21H21ClFN3O MolecularWeight: 385.862343

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)N2C(=O)CN=C(C3=C2C(=CC=C3)Cl)C4=CC=CC=C4F

Isomeric SMILES

CN1CCC(CC1)N2C(=O)CN=C(C3=C2C(=CC=C3)Cl)C4=CC=CC=C4F

InChI

InChI=1S/C21H21ClFN3O/c1-25-11-9-14(10-12-25)26-19(27)13-24-20(15-5-2-3-8-18(15)23)16-6-4-7-17(22)21(16)26/h2-8,14H,9-13H2,1H3