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

Systemtic Name: 4-[5-azanyl-3-(dimethylaminomethyl)-1-phenyl-pyrazol-4-yl]imino-5-(2-hydroxyethylamino)-2-methyl-cyclohexa-2,5-dien-1-one Openeye Name: 4-[5-amino-3-(dimethylaminomethyl)-1-phenyl-pyrazol-4-yl]imino-5-(2-hydroxyethylamino)-2-methyl-cyclohexa-2,5-dien-1-one CAS Name: 4-[[5-amino-3-(dimethylaminomethyl)-1-phenyl-4-pyrazolyl]imino]-5-(2-hydroxyethylamino)-2-methyl-1-cyclohexa-2,5-dienone IUPAC Name: 4-[5-amino-3-(dimethylaminomethyl)-1-phenylpyrazol-4-yl]imino-5-(2-hydroxyethylamino)-2-methylcyclohexa-2,5-dien-1-one Traditional Name: 4-[5-amino-3-(dimethylaminomethyl)-1-phenyl-pyrazol-4-yl]imino-5-(2-hydroxyethylamino)-2-methyl-cyclohexa-2,5-dien-1-one Formula: C21H26N6O2 MolecularWeight: 394.47014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N6O2/c1-14-11-17(16(12-19(14)29)23-9-10-28)24-20-18(13-26(2)3)25-27(21(20)22)15-7-5-4-6-8-15/h4-8,11-12,23,28H,9-10,13,22H2,1-3H3