1-[2-[(3-cyano-6-ethoxy-quinolin-1-ium-2-yl)amino]ethyl]-3-(4-propan-2-ylphenyl)urea

Systemtic Name: 1-[2-[(3-cyano-6-ethoxy-quinolin-1-ium-2-yl)amino]ethyl]-3-(4-propan-2-ylphenyl)urea Openeye Name: 1-[2-[(3-cyano-6-ethoxy-quinolin-1-ium-2-yl)amino]ethyl]-3-(4-isopropylphenyl)urea CAS Name: 1-[2-[(3-cyano-6-ethoxy-2-quinolin-1-iumyl)amino]ethyl]-3-(4-propan-2-ylphenyl)urea IUPAC Name: 1-[2-[(3-cyano-6-ethoxyquinolin-1-ium-2-yl)amino]ethyl]-3-(4-propan-2-ylphenyl)urea Traditional Name: 1-[2-[(3-cyano-6-ethoxy-quinolin-1-ium-2-yl)amino]ethyl]-3-p-cumenyl-urea Formula: C24H28N5O2+ MolecularWeight: 418.51142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)[NH+]=C(C(=C2)C#N)NCCNC(=O)NC3=CC=C(C=C3)C(C)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)[NH+]=C(C(=C2)C#N)NCCNC(=O)NC3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C24H27N5O2/c1-4-31-21-9-10-22-18(14-21)13-19(15-25)23(29-22)26-11-12-27-24(30)28-20-7-5-17(6-8-20)16(2)3/h5-10,13-14,16H,4,11-12H2,1-3H3,(H,26,29)(H2,27,28,30)/p+1