(1-phenyl-5-propyl-pyrazol-4-yl)-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (1-phenyl-5-propyl-pyrazol-4-yl)-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (1-phenyl-5-propyl-pyrazol-4-yl)-[4-(3-pyridylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (1-phenyl-5-propyl-4-pyrazolyl)-[4-(3-pyridinylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (1-phenyl-5-propylpyrazol-4-yl)-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: (1-phenyl-5-propyl-pyrazol-4-yl)-[4-(3-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=CN=CC=C4

Isomeric SMILES

CCCC1=C(C=NN1C2=CC=CC=C2)C(=O)N3CCCN(CC3)CC4=CN=CC=C4

InChI

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