1-(cyclopropylmethyl)-3-fluoranyl-7-nitro-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-one

Systemtic Name: 1-(cyclopropylmethyl)-3-fluoranyl-7-nitro-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-one Openeye Name: 1-(cyclopropylmethyl)-3-fluoro-7-nitro-5-(2-pyridyl)-3H-1,4-benzodiazepin-2-one CAS Name: 1-(cyclopropylmethyl)-3-fluoro-7-nitro-5-(2-pyridinyl)-3H-1,4-benzodiazepin-2-one IUPAC Name: 1-(cyclopropylmethyl)-3-fluoro-7-nitro-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-one Traditional Name: 1-(cyclopropylmethyl)-3-fluoro-7-nitro-5-(2-pyridyl)-3H-1,4-benzodiazepin-2-one Formula: C18H15FN4O3 MolecularWeight: 354.335103

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=NC(C2=O)F)C4=CC=CC=N4

Isomeric SMILES

C1CC1CN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=NC(C2=O)F)C4=CC=CC=N4

InChI

InChI=1S/C18H15FN4O3/c19-17-18(24)22(10-11-4-5-11)15-7-6-12(23(25)26)9-13(15)16(21-17)14-3-1-2-8-20-14/h1-3,6-9,11,17H,4-5,10H2