5-[2,6-bis(fluoranyl)phenyl]-N-but-2-ynyl-7-chloranyl-3H-1,4-benzodiazepin-2-amine

Systemtic Name: 5-[2,6-bis(fluoranyl)phenyl]-N-but-2-ynyl-7-chloranyl-3H-1,4-benzodiazepin-2-amine Openeye Name: N-but-2-ynyl-7-chloro-5-(2,6-difluorophenyl)-3H-1,4-benzodiazepin-2-amine CAS Name: N-but-2-ynyl-7-chloro-5-(2,6-difluorophenyl)-3H-1,4-benzodiazepin-2-amine IUPAC Name: N-but-2-ynyl-7-chloro-5-(2,6-difluorophenyl)-3H-1,4-benzodiazepin-2-amine Traditional Name: but-2-ynyl-[7-chloro-5-(2,6-difluorophenyl)-3H-1,4-benzodiazepin-2-yl]amine Formula: C19H14ClF2N3 MolecularWeight: 357.784366

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCNC1=NC2=C(C=C(C=C2)Cl)C(=NC1)C3=C(C=CC=C3F)F

Isomeric SMILES

CC#CCNC1=NC2=C(C=C(C=C2)Cl)C(=NC1)C3=C(C=CC=C3F)F

InChI

InChI=1S/C19H14ClF2N3/c1-2-3-9-23-17-11-24-19(18-14(21)5-4-6-15(18)22)13-10-12(20)7-8-16(13)25-17/h4-8,10H,9,11H2,1H3,(H,23,25)