1-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane

Systemtic Name: 1-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane Openeye Name: 1-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-4-(3-pyridylmethyl)-1,4-diazepane CAS Name: 1-[(5-chloro-1,3-dimethyl-4-pyrazolyl)methyl]-4-(3-pyridinylmethyl)-1,4-diazepane IUPAC Name: 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane Traditional Name: 1-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-4-(3-pyridylmethyl)-1,4-diazepane Formula: C17H24ClN5 MolecularWeight: 333.85896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CN2CCCN(CC2)CC3=CN=CC=C3)Cl)C

Isomeric SMILES

CC1=NN(C(=C1CN2CCCN(CC2)CC3=CN=CC=C3)Cl)C

InChI

InChI=1S/C17H24ClN5/c1-14-16(17(18)21(2)20-14)13-23-8-4-7-22(9-10-23)12-15-5-3-6-19-11-15/h3,5-6,11H,4,7-10,12-13H2,1-2H3