N-(8-bromanyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-1-methyl-pyrazol-4-amine

Systemtic Name: N-(8-bromanyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-1-methyl-pyrazol-4-amine Openeye Name: N-(8-bromo-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-1-methyl-pyrazol-4-amine CAS Name: N-(8-bromo-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-1-methyl-4-pyrazolamine IUPAC Name: N-(8-bromo-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-1-methylpyrazol-4-amine Traditional Name: (8-bromo-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-(1-methylpyrazol-4-yl)amine Formula: C14H16BrN3O MolecularWeight: 322.20034

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)NC2CCCOC3=C2C=CC(=C3)Br

Isomeric SMILES

CN1C=C(C=N1)NC2CCCOC3=C2C=CC(=C3)Br

InChI

InChI=1S/C14H16BrN3O/c1-18-9-11(8-16-18)17-13-3-2-6-19-14-7-10(15)4-5-12(13)14/h4-5,7-9,13,17H,2-3,6H2,1H3