N-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-1-propan-2-yl-pyrazole-3-carboxamide

Systemtic Name: N-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-1-propan-2-yl-pyrazole-3-carboxamide Openeye Name: 1-isopropyl-N-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)pyrazole-3-carboxamide CAS Name: N-(4-methyl-1,3-benzothiazol-2-yl)-N-[3-(4-morpholinyl)propyl]-1-propan-2-yl-3-pyrazolecarboxamide IUPAC Name: N-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-1-propan-2-ylpyrazole-3-carboxamide Traditional Name: 1-isopropyl-N-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)pyrazole-3-carboxamide Formula: C22H29N5O2S MolecularWeight: 427.56296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)N(CCCN3CCOCC3)C(=O)C4=NN(C=C4)C(C)C

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)N(CCCN3CCOCC3)C(=O)C4=NN(C=C4)C(C)C

InChI

InChI=1S/C22H29N5O2S/c1-16(2)27-11-8-18(24-27)21(28)26(10-5-9-25-12-14-29-15-13-25)22-23-20-17(3)6-4-7-19(20)30-22/h4,6-8,11,16H,5,9-10,12-15H2,1-3H3