(4-bromanyl-2-ethyl-5-methyl-pyrazol-3-yl)-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (4-bromanyl-2-ethyl-5-methyl-pyrazol-3-yl)-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (4-bromo-2-ethyl-5-methyl-pyrazol-3-yl)-[4-(4-pyridylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (4-bromo-2-ethyl-5-methyl-3-pyrazolyl)-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (4-bromo-2-ethyl-5-methylpyrazol-3-yl)-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: (4-bromo-2-ethyl-5-methyl-pyrazol-3-yl)-[4-(4-pyridylmethyl)-1,4-diazepan-1-yl]methanone Formula: C18H24BrN5O MolecularWeight: 406.32006

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)Br)C(=O)N2CCCN(CC2)CC3=CC=NC=C3

Isomeric SMILES

CCN1C(=C(C(=N1)C)Br)C(=O)N2CCCN(CC2)CC3=CC=NC=C3

InChI

InChI=1S/C18H24BrN5O/c1-3-24-17(16(19)14(2)21-24)18(25)23-10-4-9-22(11-12-23)13-15-5-7-20-8-6-15/h5-8H,3-4,9-13H2,1-2H3