(1-phenyl-5-propyl-pyrazol-4-yl)-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (1-phenyl-5-propyl-pyrazol-4-yl)-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (1-phenyl-5-propyl-pyrazol-4-yl)-[4-(2-pyridylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (1-phenyl-5-propyl-4-pyrazolyl)-[4-(2-pyridinylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (1-phenyl-5-propylpyrazol-4-yl)-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: (1-phenyl-5-propyl-pyrazol-4-yl)-[4-(2-pyridylmethyl)-1,4-diazepan-1-yl]methanone Formula: C24H29N5O MolecularWeight: 403.51996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=NN1C2=CC=CC=C2)C(=O)N3CCCN(CC3)CC4=CC=CC=N4

Isomeric SMILES

CCCC1=C(C=NN1C2=CC=CC=C2)C(=O)N3CCCN(CC3)CC4=CC=CC=N4

InChI

InChI=1S/C24H29N5O/c1-2-9-23-22(18-26-29(23)21-11-4-3-5-12-21)24(30)28-15-8-14-27(16-17-28)19-20-10-6-7-13-25-20/h3-7,10-13,18H,2,8-9,14-17,19H2,1H3