1-[6-chloranyl-1-(cyanomethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-3-isoquinolin-5-yl-urea

Systemtic Name: 1-[6-chloranyl-1-(cyanomethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-3-isoquinolin-5-yl-urea Openeye Name: 1-[6-chloro-1-(cyanomethyl)tetralin-2-yl]-3-(5-isoquinolyl)urea CAS Name: 1-[6-chloro-1-(cyanomethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-3-(5-isoquinolinyl)urea IUPAC Name: 1-[6-chloro-1-(cyanomethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-3-isoquinolin-5-ylurea Traditional Name: 1-[6-chloro-1-(cyanomethyl)tetralin-2-yl]-3-(5-isoquinolyl)urea Formula: C22H19ClN4O MolecularWeight: 390.86546

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)Cl)C(C1NC(=O)NC3=CC=CC4=C3C=CN=C4)CC#N

Isomeric SMILES

C1CC2=C(C=CC(=C2)Cl)C(C1NC(=O)NC3=CC=CC4=C3C=CN=C4)CC#N

InChI

InChI=1S/C22H19ClN4O/c23-16-5-6-17-14(12-16)4-7-21(19(17)8-10-24)27-22(28)26-20-3-1-2-15-13-25-11-9-18(15)20/h1-3,5-6,9,11-13,19,21H,4,7-8H2,(H2,26,27,28)