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

Systemtic Name: 1-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]-4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,4-diazepane Openeye Name: 1-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-4-(2,3-dihydrobenzofuran-5-ylmethyl)-1,4-diazepane CAS Name: 1-[(5-chloro-1,3-dimethyl-4-pyrazolyl)methyl]-4-(2,3-dihydrobenzofuran-5-ylmethyl)-1,4-diazepane IUPAC Name: 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,4-diazepane Traditional Name: 1-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-4-(coumaran-5-ylmethyl)-1,4-diazepane Formula: C20H27ClN4O MolecularWeight: 374.90758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CN2CCCN(CC2)CC3=CC4=C(C=C3)OCC4)Cl)C

Isomeric SMILES

CC1=NN(C(=C1CN2CCCN(CC2)CC3=CC4=C(C=C3)OCC4)Cl)C

InChI

InChI=1S/C20H27ClN4O/c1-15-18(20(21)23(2)22-15)14-25-8-3-7-24(9-10-25)13-16-4-5-19-17(12-16)6-11-26-19/h4-5,12H,3,6-11,13-14H2,1-2H3