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

Systemtic Name: 2-[[4-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]-1,4-diazepan-1-yl]methyl]quinoline Openeye Name: 2-[[4-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-1,4-diazepan-1-yl]methyl]quinoline CAS Name: 2-[[4-[(5-chloro-1,3-dimethyl-4-pyrazolyl)methyl]-1,4-diazepan-1-yl]methyl]quinoline IUPAC Name: 2-[[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]methyl]quinoline Traditional Name: 2-[[4-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-1,4-diazepan-1-yl]methyl]quinoline Formula: C21H26ClN5 MolecularWeight: 383.91764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CN2CCCN(CC2)CC3=NC4=CC=CC=C4C=C3)Cl)C

Isomeric SMILES

CC1=NN(C(=C1CN2CCCN(CC2)CC3=NC4=CC=CC=C4C=C3)Cl)C

InChI

InChI=1S/C21H26ClN5/c1-16-19(21(22)25(2)24-16)15-27-11-5-10-26(12-13-27)14-18-9-8-17-6-3-4-7-20(17)23-18/h3-4,6-9H,5,10-15H2,1-2H3