N-ethyl-5-(4-fluorophenyl)-3-thiophen-2-yl-3H-pyrido[2,3-e][1,4]diazepin-2-amine

Systemtic Name: N-ethyl-5-(4-fluorophenyl)-3-thiophen-2-yl-3H-pyrido[2,3-e][1,4]diazepin-2-amine Openeye Name: N-ethyl-5-(4-fluorophenyl)-3-(2-thienyl)-3H-pyrido[2,3-e][1,4]diazepin-2-amine CAS Name: N-ethyl-5-(4-fluorophenyl)-3-thiophen-2-yl-3H-pyrido[2,3-e][1,4]diazepin-2-amine IUPAC Name: N-ethyl-5-(4-fluorophenyl)-3-thiophen-2-yl-3H-pyrido[2,3-e][1,4]diazepin-2-amine Traditional Name: ethyl-[5-(4-fluorophenyl)-3-(2-thienyl)-3H-pyrido[2,3-e][1,4]diazepin-2-yl]amine Formula: C20H17FN4S MolecularWeight: 364.439183

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC2=C(C=CC=N2)C(=NC1C3=CC=CS3)C4=CC=C(C=C4)F

Isomeric SMILES

CCNC1=NC2=C(C=CC=N2)C(=NC1C3=CC=CS3)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H17FN4S/c1-2-22-20-18(16-6-4-12-26-16)24-17(13-7-9-14(21)10-8-13)15-5-3-11-23-19(15)25-20/h3-12,18H,2H2,1H3,(H,22,23,25)