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

Systemtic Name: 1-[(6-methylpyridin-2-yl)methyl]-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,4-diazepane Openeye Name: 1-[(6-methyl-2-pyridyl)methyl]-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,4-diazepane CAS Name: 1-[(6-methyl-2-pyridinyl)methyl]-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,4-diazepane IUPAC Name: 1-[(6-methylpyridin-2-yl)methyl]-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,4-diazepane Traditional Name: 1-[(6-methyl-2-pyridyl)methyl]-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,4-diazepane Formula: C22H27N5 MolecularWeight: 361.48328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CN2CCCN(CC2)CC3=C(NN=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=NC(=CC=C1)CN2CCCN(CC2)CC3=C(NN=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H27N5/c1-18-7-5-10-21(24-18)17-27-12-6-11-26(13-14-27)16-20-15-23-25-22(20)19-8-3-2-4-9-19/h2-5,7-10,15H,6,11-14,16-17H2,1H3,(H,23,25)