2-[5-azanyl-1-(2-hydroxyethyl)-3-phenethyl-pyrazol-4-yl]-1H-quinazolin-4-one

Systemtic Name: 2-[5-azanyl-1-(2-hydroxyethyl)-3-phenethyl-pyrazol-4-yl]-1H-quinazolin-4-one Openeye Name: 2-[5-amino-1-(2-hydroxyethyl)-3-phenethyl-pyrazol-4-yl]-1H-quinazolin-4-one CAS Name: 2-[5-amino-1-(2-hydroxyethyl)-3-phenethyl-4-pyrazolyl]-1H-quinazolin-4-one IUPAC Name: 2-[5-amino-1-(2-hydroxyethyl)-3-phenethylpyrazol-4-yl]-1H-quinazolin-4-one Traditional Name: 2-[5-amino-1-(2-hydroxyethyl)-3-phenethyl-pyrazol-4-yl]-1H-quinazolin-4-one Formula: C21H21N5O2 MolecularWeight: 375.42374

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=NN(C(=C2C3=NC(=O)C4=CC=CC=C4N3)N)CCO

Isomeric SMILES

C1=CC=C(C=C1)CCC2=NN(C(=C2C3=NC(=O)C4=CC=CC=C4N3)N)CCO

InChI

InChI=1S/C21H21N5O2/c22-19-18(20-23-16-9-5-4-8-15(16)21(28)24-20)17(25-26(19)12-13-27)11-10-14-6-2-1-3-7-14/h1-9,27H,10-13,22H2,(H,23,24,28)