1-[2-[(3-cyano-8-methyl-quinolin-2-yl)amino]ethyl]-1-(phenylmethyl)urea

Systemtic Name: 1-[2-[(3-cyano-8-methyl-quinolin-2-yl)amino]ethyl]-1-(phenylmethyl)urea Openeye Name: 1-benzyl-1-[2-[(3-cyano-8-methyl-2-quinolyl)amino]ethyl]urea CAS Name: 1-[2-[(3-cyano-8-methyl-2-quinolinyl)amino]ethyl]-1-(phenylmethyl)urea IUPAC Name: 1-benzyl-1-[2-[(3-cyano-8-methylquinolin-2-yl)amino]ethyl]urea Traditional Name: 1-benzyl-1-[2-[(3-cyano-8-methyl-2-quinolyl)amino]ethyl]urea Formula: C21H21N5O MolecularWeight: 359.42434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C(=C2)C#N)NCCN(CC3=CC=CC=C3)C(=O)N

Isomeric SMILES

CC1=CC=CC2=C1N=C(C(=C2)C#N)NCCN(CC3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C21H21N5O/c1-15-6-5-9-17-12-18(13-22)20(25-19(15)17)24-10-11-26(21(23)27)14-16-7-3-2-4-8-16/h2-9,12H,10-11,14H2,1H3,(H2,23,27)(H,24,25)