1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepane

Systemtic Name: 1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepane Openeye Name: 1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepane CAS Name: 1-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepane Traditional Name: 1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepane Formula: C24H31N5 MolecularWeight: 389.53644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CN2CCCN(CC2)CC3=C(N(N=C3C)C4=CC=CC=C4)C

Isomeric SMILES

CC1=NC(=CC=C1)CN2CCCN(CC2)CC3=C(N(N=C3C)C4=CC=CC=C4)C

InChI

InChI=1S/C24H31N5/c1-19-9-7-10-22(25-19)17-27-13-8-14-28(16-15-27)18-24-20(2)26-29(21(24)3)23-11-5-4-6-12-23/h4-7,9-12H,8,13-18H2,1-3H3