1-(8-chloranyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)-N,N-dimethyl-butan-2-amine

Systemtic Name: 1-(8-chloranyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)-N,N-dimethyl-butan-2-amine Openeye Name: 1-(8-chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)-N,N-dimethyl-butan-2-amine CAS Name: 1-(8-chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)-N,N-dimethyl-2-butanamine IUPAC Name: 1-(8-chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)-N,N-dimethylbutan-2-amine Traditional Name: 1-[(8-chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)methyl]propyl-dimethyl-amine Formula: C22H24ClN5 MolecularWeight: 393.91246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4)N(C)C

Isomeric SMILES

CCC(CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4)N(C)C

InChI

InChI=1S/C22H24ClN5/c1-4-17(27(2)3)13-20-25-26-21-14-24-22(15-8-6-5-7-9-15)18-12-16(23)10-11-19(18)28(20)21/h5-12,17H,4,13-14H2,1-3H3