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

Systemtic Name: 1-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]-4-[(5-ethylfuran-2-yl)methyl]-1,4-diazepane Openeye Name: 1-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-4-[(5-ethyl-2-furyl)methyl]-1,4-diazepane CAS Name: 1-[(5-chloro-1,3-dimethyl-4-pyrazolyl)methyl]-4-[(5-ethyl-2-furanyl)methyl]-1,4-diazepane IUPAC Name: 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-[(5-ethylfuran-2-yl)methyl]-1,4-diazepane Traditional Name: 1-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-4-[(5-ethyl-2-furyl)methyl]-1,4-diazepane Formula: C18H27ClN4O MolecularWeight: 350.88618

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(O1)CN2CCCN(CC2)CC3=C(N(N=C3C)C)Cl

Isomeric SMILES

CCC1=CC=C(O1)CN2CCCN(CC2)CC3=C(N(N=C3C)C)Cl

InChI

InChI=1S/C18H27ClN4O/c1-4-15-6-7-16(24-15)12-22-8-5-9-23(11-10-22)13-17-14(2)20-21(3)18(17)19/h6-7H,4-5,8-13H2,1-3H3