1-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]-4-(1H-imidazol-2-ylmethyl)-1,4-diazepane

Systemtic Name: 1-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]-4-(1H-imidazol-2-ylmethyl)-1,4-diazepane Openeye Name: 1-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-4-(1H-imidazol-2-ylmethyl)-1,4-diazepane CAS Name: 1-[(5-chloro-1,3-dimethyl-4-pyrazolyl)methyl]-4-(1H-imidazol-2-ylmethyl)-1,4-diazepane IUPAC Name: 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-(1H-imidazol-2-ylmethyl)-1,4-diazepane Traditional Name: 1-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-4-(1H-imidazol-2-ylmethyl)-1,4-diazepane Formula: C15H23ClN6 MolecularWeight: 322.83632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CN2CCCN(CC2)CC3=NC=CN3)Cl)C

Isomeric SMILES

CC1=NN(C(=C1CN2CCCN(CC2)CC3=NC=CN3)Cl)C

InChI

InChI=1S/C15H23ClN6/c1-12-13(15(16)20(2)19-12)10-21-6-3-7-22(9-8-21)11-14-17-4-5-18-14/h4-5H,3,6-11H2,1-2H3,(H,17,18)