1-[3-[(3-cyano-5,7-dimethyl-quinolin-2-yl)amino]propyl]-3-(3-methoxyphenyl)urea

Systemtic Name: 1-[3-[(3-cyano-5,7-dimethyl-quinolin-2-yl)amino]propyl]-3-(3-methoxyphenyl)urea Openeye Name: 1-[3-[(3-cyano-5,7-dimethyl-2-quinolyl)amino]propyl]-3-(3-methoxyphenyl)urea CAS Name: 1-[3-[(3-cyano-5,7-dimethyl-2-quinolinyl)amino]propyl]-3-(3-methoxyphenyl)urea IUPAC Name: 1-[3-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]propyl]-3-(3-methoxyphenyl)urea Traditional Name: 1-[3-[(3-cyano-5,7-dimethyl-2-quinolyl)amino]propyl]-3-(3-methoxyphenyl)urea Formula: C23H25N5O2 MolecularWeight: 403.4769

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(C(=NC2=C1)NCCCNC(=O)NC3=CC(=CC=C3)OC)C#N)C

Isomeric SMILES

CC1=CC(=C2C=C(C(=NC2=C1)NCCCNC(=O)NC3=CC(=CC=C3)OC)C#N)C

InChI

InChI=1S/C23H25N5O2/c1-15-10-16(2)20-12-17(14-24)22(28-21(20)11-15)25-8-5-9-26-23(29)27-18-6-4-7-19(13-18)30-3/h4,6-7,10-13H,5,8-9H2,1-3H3,(H,25,28)(H2,26,27,29)