7-bromanyl-N-prop-2-ynyl-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-amine

Systemtic Name: 7-bromanyl-N-prop-2-ynyl-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-amine Openeye Name: 7-bromo-N-prop-2-ynyl-5-(2-pyridyl)-3H-1,4-benzodiazepin-2-amine CAS Name: 7-bromo-N-prop-2-ynyl-5-(2-pyridinyl)-3H-1,4-benzodiazepin-2-amine IUPAC Name: 7-bromo-N-prop-2-ynyl-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-amine Traditional Name: [7-bromo-5-(2-pyridyl)-3H-1,4-benzodiazepin-2-yl]-propargyl-amine Formula: C17H13BrN4 MolecularWeight: 353.21592

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC1=NC2=C(C=C(C=C2)Br)C(=NC1)C3=CC=CC=N3

Isomeric SMILES

C#CCNC1=NC2=C(C=C(C=C2)Br)C(=NC1)C3=CC=CC=N3

InChI

InChI=1S/C17H13BrN4/c1-2-8-20-16-11-21-17(15-5-3-4-9-19-15)13-10-12(18)6-7-14(13)22-16/h1,3-7,9-10H,8,11H2,(H,20,22)