azepan-1-yl-[2-[1-(2-hydroxyethyl)pyrazol-4-yl]-6-methyl-quinolin-4-yl]methanone

Systemtic Name: azepan-1-yl-[2-[1-(2-hydroxyethyl)pyrazol-4-yl]-6-methyl-quinolin-4-yl]methanone Openeye Name: azepan-1-yl-[2-[1-(2-hydroxyethyl)pyrazol-4-yl]-6-methyl-4-quinolyl]methanone CAS Name: 1-azepanyl-[2-[1-(2-hydroxyethyl)-4-pyrazolyl]-6-methyl-4-quinolinyl]methanone IUPAC Name: azepan-1-yl-[2-[1-(2-hydroxyethyl)pyrazol-4-yl]-6-methylquinolin-4-yl]methanone Traditional Name: azepan-1-yl-[2-[1-(2-hydroxyethyl)pyrazol-4-yl]-6-methyl-4-quinolyl]methanone Formula: C22H26N4O2 MolecularWeight: 378.46744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)N3CCCCCC3)C4=CN(N=C4)CCO

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)N3CCCCCC3)C4=CN(N=C4)CCO

InChI

InChI=1S/C22H26N4O2/c1-16-6-7-20-18(12-16)19(22(28)25-8-4-2-3-5-9-25)13-21(24-20)17-14-23-26(15-17)10-11-27/h6-7,12-15,27H,2-5,8-11H2,1H3