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

Systemtic Name: N-(2-fluoranylethyl)-5-phenyl-3-thiophen-2-yl-3H-pyrido[2,3-e][1,4]diazepin-2-amine Openeye Name: N-(2-fluoroethyl)-5-phenyl-3-(2-thienyl)-3H-pyrido[2,3-e][1,4]diazepin-2-amine CAS Name: N-(2-fluoroethyl)-5-phenyl-3-thiophen-2-yl-3H-pyrido[2,3-e][1,4]diazepin-2-amine IUPAC Name: N-(2-fluoroethyl)-5-phenyl-3-thiophen-2-yl-3H-pyrido[2,3-e][1,4]diazepin-2-amine Traditional Name: 2-fluoroethyl-[5-phenyl-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:

C1=CC=C(C=C1)C2=NC(C(=NC3=C2C=CC=N3)NCCF)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(C(=NC3=C2C=CC=N3)NCCF)C4=CC=CS4

InChI

InChI=1S/C20H17FN4S/c21-10-12-23-20-18(16-9-5-13-26-16)24-17(14-6-2-1-3-7-14)15-8-4-11-22-19(15)25-20/h1-9,11,13,18H,10,12H2,(H,22,23,25)