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

Systemtic Name: 4-[5-azanyl-3-(dimethylaminomethyl)-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-(dimethylaminomethyl)pyrazol-4-yl]imino-5-(2-hydroxyethylamino)-2-methyl-cyclohexa-2,5-dien-1-one CAS Name: 4-[[5-amino-3-(dimethylaminomethyl)-1-(phenylmethyl)-4-pyrazolyl]imino]-5-(2-hydroxyethylamino)-2-methyl-1-cyclohexa-2,5-dienone IUPAC Name: 4-[5-amino-1-benzyl-3-(dimethylaminomethyl)pyrazol-4-yl]imino-5-(2-hydroxyethylamino)-2-methylcyclohexa-2,5-dien-1-one Traditional Name: 4-[5-amino-1-benzyl-3-(dimethylaminomethyl)pyrazol-4-yl]imino-5-(2-hydroxyethylamino)-2-methyl-cyclohexa-2,5-dien-1-one Formula: C22H28N6O2 MolecularWeight: 408.49672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C(N(N=C2CN(C)C)CC3=CC=CC=C3)N)C(=CC1=O)NCCO

Isomeric SMILES

CC1=CC(=NC2=C(N(N=C2CN(C)C)CC3=CC=CC=C3)N)C(=CC1=O)NCCO

InChI

InChI=1S/C22H28N6O2/c1-15-11-18(17(12-20(15)30)24-9-10-29)25-21-19(14-27(2)3)26-28(22(21)23)13-16-7-5-4-6-8-16/h4-8,11-12,24,29H,9-10,13-14,23H2,1-3H3