4-[(Z)-[4-[[bis(1-hydroxyethyl)amino]methyl]-3,5-dimethyl-pyrrol-2-ylidene]methyl]-5-pyridin-3-yl-1,2-dihydropyrazol-3-one

Systemtic Name: 4-[(Z)-[4-[[bis(1-hydroxyethyl)amino]methyl]-3,5-dimethyl-pyrrol-2-ylidene]methyl]-5-pyridin-3-yl-1,2-dihydropyrazol-3-one Openeye Name: 4-[(Z)-[4-[[bis(1-hydroxyethyl)amino]methyl]-3,5-dimethyl-pyrrol-2-ylidene]methyl]-5-(3-pyridyl)-1,2-dihydropyrazol-3-one CAS Name: 4-[(Z)-[4-[[bis(1-hydroxyethyl)amino]methyl]-3,5-dimethyl-2-pyrrolylidene]methyl]-5-(3-pyridinyl)-1,2-dihydropyrazol-3-one IUPAC Name: 4-[(Z)-[4-[[bis(1-hydroxyethyl)amino]methyl]-3,5-dimethylpyrrol-2-ylidene]methyl]-5-pyridin-3-yl-1,2-dihydropyrazol-3-one Traditional Name: 4-[(Z)-[4-[[bis(1-hydroxyethyl)amino]methyl]-3,5-dimethyl-pyrrol-2-ylidene]methyl]-5-(3-pyridyl)-3-pyrazolin-3-one Formula: C20H25N5O3 MolecularWeight: 383.4442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC1=CC2=C(NNC2=O)C3=CN=CC=C3)C)CN(C(C)O)C(C)O

Isomeric SMILES

CC\1=C(C(=N/C1=C\C2=C(NNC2=O)C3=CN=CC=C3)C)CN(C(C)O)C(C)O

InChI

InChI=1S/C20H25N5O3/c1-11-17(10-25(13(3)26)14(4)27)12(2)22-18(11)8-16-19(23-24-20(16)28)15-6-5-7-21-9-15/h5-9,13-14,26-27H,10H2,1-4H3,(H2,23,24,28)/b18-8-