5-(2-fluorophenyl)-1-(1-methylpiperidin-4-yl)-7-nitro-3H-1,4-benzodiazepin-2-one

Systemtic Name: 5-(2-fluorophenyl)-1-(1-methylpiperidin-4-yl)-7-nitro-3H-1,4-benzodiazepin-2-one Openeye Name: 5-(2-fluorophenyl)-1-(1-methyl-4-piperidyl)-7-nitro-3H-1,4-benzodiazepin-2-one CAS Name: 5-(2-fluorophenyl)-1-(1-methyl-4-piperidinyl)-7-nitro-3H-1,4-benzodiazepin-2-one IUPAC Name: 5-(2-fluorophenyl)-1-(1-methylpiperidin-4-yl)-7-nitro-3H-1,4-benzodiazepin-2-one Traditional Name: 5-(2-fluorophenyl)-1-(1-methyl-4-piperidyl)-7-nitro-3H-1,4-benzodiazepin-2-one Formula: C21H21FN4O3 MolecularWeight: 396.414843

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)N2C(=O)CN=C(C3=C2C=CC(=C3)[N+](=O)[O-])C4=CC=CC=C4F

Isomeric SMILES

CN1CCC(CC1)N2C(=O)CN=C(C3=C2C=CC(=C3)[N+](=O)[O-])C4=CC=CC=C4F

InChI

InChI=1S/C21H21FN4O3/c1-24-10-8-14(9-11-24)25-19-7-6-15(26(28)29)12-17(19)21(23-13-20(25)27)16-4-2-3-5-18(16)22/h2-7,12,14H,8-11,13H2,1H3