(1-phenyl-5-propyl-pyrazol-4-yl)-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (1-phenyl-5-propyl-pyrazol-4-yl)-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (1-phenyl-5-propyl-pyrazol-4-yl)-[4-(thiazol-2-ylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (1-phenyl-5-propyl-4-pyrazolyl)-[4-(2-thiazolylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (1-phenyl-5-propylpyrazol-4-yl)-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: (1-phenyl-5-propyl-pyrazol-4-yl)-[4-(thiazol-2-ylmethyl)-1,4-diazepan-1-yl]methanone Formula: C22H27N5OS MolecularWeight: 409.54768

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=NN1C2=CC=CC=C2)C(=O)N3CCCN(CC3)CC4=NC=CS4

Isomeric SMILES

CCCC1=C(C=NN1C2=CC=CC=C2)C(=O)N3CCCN(CC3)CC4=NC=CS4

InChI

InChI=1S/C22H27N5OS/c1-2-7-20-19(16-24-27(20)18-8-4-3-5-9-18)22(28)26-12-6-11-25(13-14-26)17-21-23-10-15-29-21/h3-5,8-10,15-16H,2,6-7,11-14,17H2,1H3