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

Systemtic Name: 4-[5-azanyl-1-(phenylmethyl)pyrazol-4-yl]imino-5-(2-hydroxyethylamino)-2-methyl-cyclohexa-2,5-dien-1-one Openeye Name: 4-(5-amino-1-benzyl-pyrazol-4-yl)imino-5-(2-hydroxyethylamino)-2-methyl-cyclohexa-2,5-dien-1-one CAS Name: 4-[[5-amino-1-(phenylmethyl)-4-pyrazolyl]imino]-5-(2-hydroxyethylamino)-2-methyl-1-cyclohexa-2,5-dienone IUPAC Name: 4-(5-amino-1-benzylpyrazol-4-yl)imino-5-(2-hydroxyethylamino)-2-methylcyclohexa-2,5-dien-1-one Traditional Name: 4-(5-amino-1-benzyl-pyrazol-4-yl)imino-5-(2-hydroxyethylamino)-2-methyl-cyclohexa-2,5-dien-1-one Formula: C19H21N5O2 MolecularWeight: 351.40234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C(N(N=C2)CC3=CC=CC=C3)N)C(=CC1=O)NCCO

Isomeric SMILES

CC1=CC(=NC2=C(N(N=C2)CC3=CC=CC=C3)N)C(=CC1=O)NCCO

InChI

InChI=1S/C19H21N5O2/c1-13-9-16(15(10-18(13)26)21-7-8-25)23-17-11-22-24(19(17)20)12-14-5-3-2-4-6-14/h2-6,9-11,21,25H,7-8,12,20H2,1H3