1-(3-methylphenyl)-N-(3-morpholin-4-ylpropyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide

Systemtic Name: 1-(3-methylphenyl)-N-(3-morpholin-4-ylpropyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide Openeye Name: N-(3-morpholinopropyl)-1-(m-tolyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide CAS Name: 1-(3-methylphenyl)-N-[3-(4-morpholinyl)propyl]-5-(1-pyrrolyl)-4-pyrazolecarboxamide IUPAC Name: 1-(3-methylphenyl)-N-(3-morpholin-4-ylpropyl)-5-pyrrol-1-ylpyrazole-4-carboxamide Traditional Name: N-(3-morpholinopropyl)-1-(m-tolyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide Formula: C22H27N5O2 MolecularWeight: 393.48208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=C(C=N2)C(=O)NCCCN3CCOCC3)N4C=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=C(C=N2)C(=O)NCCCN3CCOCC3)N4C=CC=C4

InChI

InChI=1S/C22H27N5O2/c1-18-6-4-7-19(16-18)27-22(26-10-2-3-11-26)20(17-24-27)21(28)23-8-5-9-25-12-14-29-15-13-25/h2-4,6-7,10-11,16-17H,5,8-9,12-15H2,1H3,(H,23,28)