1-[1-(3-chloranylpyridin-2-yl)piperidin-4-yl]-3-(1-methylisoquinolin-5-yl)urea

Systemtic Name: 1-[1-(3-chloranylpyridin-2-yl)piperidin-4-yl]-3-(1-methylisoquinolin-5-yl)urea Openeye Name: 1-[1-(3-chloro-2-pyridyl)-4-piperidyl]-3-(1-methyl-5-isoquinolyl)urea CAS Name: 1-[1-(3-chloro-2-pyridinyl)-4-piperidinyl]-3-(1-methyl-5-isoquinolinyl)urea IUPAC Name: 1-[1-(3-chloropyridin-2-yl)piperidin-4-yl]-3-(1-methylisoquinolin-5-yl)urea Traditional Name: 1-[1-(3-chloro-2-pyridyl)-4-piperidyl]-3-(1-methyl-5-isoquinolyl)urea Formula: C21H22ClN5O MolecularWeight: 395.88528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC2=C1C=CC=C2NC(=O)NC3CCN(CC3)C4=C(C=CC=N4)Cl

Isomeric SMILES

CC1=NC=CC2=C1C=CC=C2NC(=O)NC3CCN(CC3)C4=C(C=CC=N4)Cl

InChI

InChI=1S/C21H22ClN5O/c1-14-16-4-2-6-19(17(16)7-11-23-14)26-21(28)25-15-8-12-27(13-9-15)20-18(22)5-3-10-24-20/h2-7,10-11,15H,8-9,12-13H2,1H3,(H2,25,26,28)