7-chloranyl-N-hex-3-yn-2-yl-5-methyl-3H-1,4-benzodiazepin-2-amine

Systemtic Name: 7-chloranyl-N-hex-3-yn-2-yl-5-methyl-3H-1,4-benzodiazepin-2-amine Openeye Name: 7-chloro-5-methyl-N-(1-methylpent-2-ynyl)-3H-1,4-benzodiazepin-2-amine CAS Name: 7-chloro-N-hex-3-yn-2-yl-5-methyl-3H-1,4-benzodiazepin-2-amine IUPAC Name: 7-chloro-N-hex-3-yn-2-yl-5-methyl-3H-1,4-benzodiazepin-2-amine Traditional Name: (7-chloro-5-methyl-3H-1,4-benzodiazepin-2-yl)-(1-methylpent-2-ynyl)amine Formula: C16H18ClN3 MolecularWeight: 287.78722

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CC(C)NC1=NC2=C(C=C(C=C2)Cl)C(=NC1)C

Isomeric SMILES

CCC#CC(C)NC1=NC2=C(C=C(C=C2)Cl)C(=NC1)C

InChI

InChI=1S/C16H18ClN3/c1-4-5-6-11(2)19-16-10-18-12(3)14-9-13(17)7-8-15(14)20-16/h7-9,11H,4,10H2,1-3H3,(H,19,20)