4-[5-azanyl-3-(hydroxymethyl)-1-phenyl-pyrazol-4-yl]imino-5-(2-hydroxyethylamino)-2-methyl-cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[5-azanyl-3-(hydroxymethyl)-1-phenyl-pyrazol-4-yl]imino-5-(2-hydroxyethylamino)-2-methyl-cyclohexa-2,5-dien-1-one Openeye Name: 4-[5-amino-3-(hydroxymethyl)-1-phenyl-pyrazol-4-yl]imino-5-(2-hydroxyethylamino)-2-methyl-cyclohexa-2,5-dien-1-one CAS Name: 4-[[5-amino-3-(hydroxymethyl)-1-phenyl-4-pyrazolyl]imino]-5-(2-hydroxyethylamino)-2-methyl-1-cyclohexa-2,5-dienone IUPAC Name: 4-[5-amino-3-(hydroxymethyl)-1-phenylpyrazol-4-yl]imino-5-(2-hydroxyethylamino)-2-methylcyclohexa-2,5-dien-1-one Traditional Name: 4-(5-amino-3-methylol-1-phenyl-pyrazol-4-yl)imino-5-(2-hydroxyethylamino)-2-methyl-cyclohexa-2,5-dien-1-one Formula: C19H21N5O3 MolecularWeight: 367.40174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C(N(N=C2CO)C3=CC=CC=C3)N)C(=CC1=O)NCCO

Isomeric SMILES

CC1=CC(=NC2=C(N(N=C2CO)C3=CC=CC=C3)N)C(=CC1=O)NCCO

InChI

InChI=1S/C19H21N5O3/c1-12-9-15(14(10-17(12)27)21-7-8-25)22-18-16(11-26)23-24(19(18)20)13-5-3-2-4-6-13/h2-6,9-10,21,25-26H,7-8,11,20H2,1H3