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

Systemtic Name: 1-(1-benzofuran-2-ylmethyl)-4-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]-1,4-diazepane Openeye Name: 1-(benzofuran-2-ylmethyl)-4-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-1,4-diazepane CAS Name: 1-(2-benzofuranylmethyl)-4-[(5-chloro-1,3-dimethyl-4-pyrazolyl)methyl]-1,4-diazepane IUPAC Name: 1-(1-benzofuran-2-ylmethyl)-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1,4-diazepane Traditional Name: 1-(benzofuran-2-ylmethyl)-4-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-1,4-diazepane Formula: C20H25ClN4O MolecularWeight: 372.8917

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CN2CCCN(CC2)CC3=CC4=CC=CC=C4O3)Cl)C

Isomeric SMILES

CC1=NN(C(=C1CN2CCCN(CC2)CC3=CC4=CC=CC=C4O3)Cl)C

InChI

InChI=1S/C20H25ClN4O/c1-15-18(20(21)23(2)22-15)14-25-9-5-8-24(10-11-25)13-17-12-16-6-3-4-7-19(16)26-17/h3-4,6-7,12H,5,8-11,13-14H2,1-2H3