8-bromanyl-4-[3-(1,2,3-triazol-1-yl)phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one

Systemtic Name: 8-bromanyl-4-[3-(1,2,3-triazol-1-yl)phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one Openeye Name: 8-bromo-4-[3-(triazol-1-yl)phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one CAS Name: 8-bromo-4-[3-(1-triazolyl)phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one IUPAC Name: 8-bromo-4-[3-(triazol-1-yl)phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one Traditional Name: 8-bromo-4-[3-(triazol-1-yl)phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one Formula: C17H12BrN5O MolecularWeight: 382.21408

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NC2=C(C=C(C=C2)Br)NC1=O)C3=CC(=CC=C3)N4C=CN=N4

Isomeric SMILES

C1C(=NC2=C(C=C(C=C2)Br)NC1=O)C3=CC(=CC=C3)N4C=CN=N4

InChI

InChI=1S/C17H12BrN5O/c18-12-4-5-14-16(9-12)21-17(24)10-15(20-14)11-2-1-3-13(8-11)23-7-6-19-22-23/h1-9H,10H2,(H,21,24)