1-[1-(3-chloranylpyridin-2-yl)pyrrolidin-3-yl]-3-(1,3-dimethylisoquinolin-5-yl)urea

Systemtic Name: 1-[1-(3-chloranylpyridin-2-yl)pyrrolidin-3-yl]-3-(1,3-dimethylisoquinolin-5-yl)urea Openeye Name: 1-[1-(3-chloro-2-pyridyl)pyrrolidin-3-yl]-3-(1,3-dimethyl-5-isoquinolyl)urea CAS Name: 1-[1-(3-chloro-2-pyridinyl)-3-pyrrolidinyl]-3-(1,3-dimethyl-5-isoquinolinyl)urea IUPAC Name: 1-[1-(3-chloropyridin-2-yl)pyrrolidin-3-yl]-3-(1,3-dimethylisoquinolin-5-yl)urea Traditional Name: 1-[1-(3-chloro-2-pyridyl)pyrrolidin-3-yl]-3-(1,3-dimethyl-5-isoquinolyl)urea Formula: C21H22ClN5O MolecularWeight: 395.88528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C2C=CC=C(C2=C1)NC(=O)NC3CCN(C3)C4=C(C=CC=N4)Cl)C

Isomeric SMILES

CC1=NC(=C2C=CC=C(C2=C1)NC(=O)NC3CCN(C3)C4=C(C=CC=N4)Cl)C

InChI

InChI=1S/C21H22ClN5O/c1-13-11-17-16(14(2)24-13)5-3-7-19(17)26-21(28)25-15-8-10-27(12-15)20-18(22)6-4-9-23-20/h3-7,9,11,15H,8,10,12H2,1-2H3,(H2,25,26,28)