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

Systemtic Name: 2-[[4-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]-1,4-diazepan-1-yl]methyl]-1-methyl-benzimidazole Openeye Name: 2-[[4-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-1,4-diazepan-1-yl]methyl]-1-methyl-benzimidazole CAS Name: 2-[[4-[(5-chloro-1,3-dimethyl-4-pyrazolyl)methyl]-1,4-diazepan-1-yl]methyl]-1-methylbenzimidazole IUPAC Name: 2-[[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]methyl]-1-methylbenzimidazole Traditional Name: 2-[[4-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-1,4-diazepan-1-yl]methyl]-1-methyl-benzimidazole Formula: C20H27ClN6 MolecularWeight: 386.92158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CN2CCCN(CC2)CC3=NC4=CC=CC=C4N3C)Cl)C

Isomeric SMILES

CC1=NN(C(=C1CN2CCCN(CC2)CC3=NC4=CC=CC=C4N3C)Cl)C

InChI

InChI=1S/C20H27ClN6/c1-15-16(20(21)25(3)23-15)13-26-9-6-10-27(12-11-26)14-19-22-17-7-4-5-8-18(17)24(19)2/h4-5,7-8H,6,9-14H2,1-3H3