1-[1-(3-chloranyl-6-methoxy-pyridin-2-yl)pyrrolidin-3-yl]-3-(1-methylisoquinolin-5-yl)urea

Systemtic Name: 1-[1-(3-chloranyl-6-methoxy-pyridin-2-yl)pyrrolidin-3-yl]-3-(1-methylisoquinolin-5-yl)urea Openeye Name: 1-[1-(3-chloro-6-methoxy-2-pyridyl)pyrrolidin-3-yl]-3-(1-methyl-5-isoquinolyl)urea CAS Name: 1-[1-(3-chloro-6-methoxy-2-pyridinyl)-3-pyrrolidinyl]-3-(1-methyl-5-isoquinolinyl)urea IUPAC Name: 1-[1-(3-chloro-6-methoxypyridin-2-yl)pyrrolidin-3-yl]-3-(1-methylisoquinolin-5-yl)urea Traditional Name: 1-[1-(3-chloro-6-methoxy-2-pyridyl)pyrrolidin-3-yl]-3-(1-methyl-5-isoquinolyl)urea Formula: C21H22ClN5O2 MolecularWeight: 411.88468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC2=C1C=CC=C2NC(=O)NC3CCN(C3)C4=C(C=CC(=N4)OC)Cl

Isomeric SMILES

CC1=NC=CC2=C1C=CC=C2NC(=O)NC3CCN(C3)C4=C(C=CC(=N4)OC)Cl

InChI

InChI=1S/C21H22ClN5O2/c1-13-15-4-3-5-18(16(15)8-10-23-13)25-21(28)24-14-9-11-27(12-14)20-17(22)6-7-19(26-20)29-2/h3-8,10,14H,9,11-12H2,1-2H3,(H2,24,25,28)