7-chloranyl-5-(2-fluorophenyl)-1-(3-piperazin-1-ylpropyl)-3H-1,4-benzodiazepin-2-one

Systemtic Name: 7-chloranyl-5-(2-fluorophenyl)-1-(3-piperazin-1-ylpropyl)-3H-1,4-benzodiazepin-2-one Openeye Name: 7-chloro-5-(2-fluorophenyl)-1-(3-piperazin-1-ylpropyl)-3H-1,4-benzodiazepin-2-one CAS Name: 7-chloro-5-(2-fluorophenyl)-1-[3-(1-piperazinyl)propyl]-3H-1,4-benzodiazepin-2-one IUPAC Name: 7-chloro-5-(2-fluorophenyl)-1-(3-piperazin-1-ylpropyl)-3H-1,4-benzodiazepin-2-one Traditional Name: 7-chloro-5-(2-fluorophenyl)-1-(3-piperazinopropyl)-3H-1,4-benzodiazepin-2-one Formula: C22H24ClFN4O MolecularWeight: 414.903563

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CCCN2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4F

Isomeric SMILES

C1CN(CCN1)CCCN2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4F

InChI

InChI=1S/C22H24ClFN4O/c23-16-6-7-20-18(14-16)22(17-4-1-2-5-19(17)24)26-15-21(29)28(20)11-3-10-27-12-8-25-9-13-27/h1-2,4-7,14,25H,3,8-13,15H2