5-(azepan-1-ylmethyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one

Systemtic Name: 5-(azepan-1-ylmethyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one Openeye Name: 5-(azepan-1-ylmethyl)-3-[2-(4-pyridyl)thiazol-4-yl]-1,4-dihydroquinazolin-2-one CAS Name: 5-(1-azepanylmethyl)-3-(2-pyridin-4-yl-4-thiazolyl)-1,4-dihydroquinazolin-2-one IUPAC Name: 5-(azepan-1-ylmethyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one Traditional Name: 5-(azepan-1-ylmethyl)-3-[2-(4-pyridyl)thiazol-4-yl]-1,4-dihydroquinazolin-2-one Formula: C23H25N5OS MolecularWeight: 419.5425

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2=C3CN(C(=O)NC3=CC=C2)C4=CSC(=N4)C5=CC=NC=C5

Isomeric SMILES

C1CCCN(CC1)CC2=C3CN(C(=O)NC3=CC=C2)C4=CSC(=N4)C5=CC=NC=C5

InChI

InChI=1S/C23H25N5OS/c29-23-25-20-7-5-6-18(14-27-12-3-1-2-4-13-27)19(20)15-28(23)21-16-30-22(26-21)17-8-10-24-11-9-17/h5-11,16H,1-4,12-15H2,(H,25,29)