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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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