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

Systemtic Name: 4-[5-azanyl-3-(hydroxymethyl)-1-(phenylmethyl)pyrazol-4-yl]imino-5-(2-hydroxyethylamino)-2-methyl-cyclohexa-2,5-dien-1-one Openeye Name: 4-[5-amino-1-benzyl-3-(hydroxymethyl)pyrazol-4-yl]imino-5-(2-hydroxyethylamino)-2-methyl-cyclohexa-2,5-dien-1-one CAS Name: 4-[[5-amino-3-(hydroxymethyl)-1-(phenylmethyl)-4-pyrazolyl]imino]-5-(2-hydroxyethylamino)-2-methyl-1-cyclohexa-2,5-dienone IUPAC Name: 4-[5-amino-1-benzyl-3-(hydroxymethyl)pyrazol-4-yl]imino-5-(2-hydroxyethylamino)-2-methylcyclohexa-2,5-dien-1-one Traditional Name: 4-(5-amino-1-benzyl-3-methylol-pyrazol-4-yl)imino-5-(2-hydroxyethylamino)-2-methyl-cyclohexa-2,5-dien-1-one Formula: C20H23N5O3 MolecularWeight: 381.42832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C(N(N=C2CO)CC3=CC=CC=C3)N)C(=CC1=O)NCCO

Isomeric SMILES

CC1=CC(=NC2=C(N(N=C2CO)CC3=CC=CC=C3)N)C(=CC1=O)NCCO

InChI

InChI=1S/C20H23N5O3/c1-13-9-16(15(10-18(13)28)22-7-8-26)23-19-17(12-27)24-25(20(19)21)11-14-5-3-2-4-6-14/h2-6,9-10,22,26-27H,7-8,11-12,21H2,1H3