2-[[4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,4-diazepan-1-yl]methyl]-1,3-thiazole

Systemtic Name: 2-[[4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,4-diazepan-1-yl]methyl]-1,3-thiazole Openeye Name: 2-[[4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,4-diazepan-1-yl]methyl]thiazole CAS Name: 2-[[4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,4-diazepan-1-yl]methyl]thiazole IUPAC Name: 2-[[4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,4-diazepan-1-yl]methyl]-1,3-thiazole Traditional Name: 2-[[4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,4-diazepan-1-yl]methyl]thiazole Formula: C19H23N5S MolecularWeight: 353.48442

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)CC2=NC=CS2)CC3=C(NN=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)CC2=NC=CS2)CC3=C(NN=C3)C4=CC=CC=C4

InChI

InChI=1S/C19H23N5S/c1-2-5-16(6-3-1)19-17(13-21-22-19)14-23-8-4-9-24(11-10-23)15-18-20-7-12-25-18/h1-3,5-7,12-13H,4,8-11,14-15H2,(H,21,22)