5-cyclopropyl-4-[(E)-[3,5-dimethyl-4-[2-(pyridin-4-ylmethylamino)ethyl]pyrrol-2-ylidene]methyl]-1,2-dihydropyrazol-3-one

Systemtic Name: 5-cyclopropyl-4-[(E)-[3,5-dimethyl-4-[2-(pyridin-4-ylmethylamino)ethyl]pyrrol-2-ylidene]methyl]-1,2-dihydropyrazol-3-one Openeye Name: 5-cyclopropyl-4-[(E)-[3,5-dimethyl-4-[2-(4-pyridylmethylamino)ethyl]pyrrol-2-ylidene]methyl]-1,2-dihydropyrazol-3-one CAS Name: 5-cyclopropyl-4-[(E)-[3,5-dimethyl-4-[2-(pyridin-4-ylmethylamino)ethyl]-2-pyrrolylidene]methyl]-1,2-dihydropyrazol-3-one IUPAC Name: 5-cyclopropyl-4-[(E)-[3,5-dimethyl-4-[2-(pyridin-4-ylmethylamino)ethyl]pyrrol-2-ylidene]methyl]-1,2-dihydropyrazol-3-one Traditional Name: 5-cyclopropyl-4-[(E)-[3,5-dimethyl-4-[2-(4-pyridylmethylamino)ethyl]pyrrol-2-ylidene]methyl]-3-pyrazolin-3-one Formula: C21H25N5O MolecularWeight: 363.4561

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC1=CC2=C(NNC2=O)C3CC3)C)CCNCC4=CC=NC=C4

Isomeric SMILES

CC\1=C(C(=N/C1=C/C2=C(NNC2=O)C3CC3)C)CCNCC4=CC=NC=C4

InChI

InChI=1S/C21H25N5O/c1-13-17(7-10-23-12-15-5-8-22-9-6-15)14(2)24-19(13)11-18-20(16-3-4-16)25-26-21(18)27/h5-6,8-9,11,16,23H,3-4,7,10,12H2,1-2H3,(H2,25,26,27)/b19-11+