2-[3-(3-carbamimidoylphenyl)-2-oxidanylidene-quinolin-1-yl]-N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]ethanamide

Systemtic Name: 2-[3-(3-carbamimidoylphenyl)-2-oxidanylidene-quinolin-1-yl]-N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]ethanamide Openeye Name: 2-[3-(3-carbamimidoylphenyl)-2-oxo-1-quinolyl]-N-[2-(2,6-dimethyl-1-piperidyl)ethyl]acetamide CAS Name: 2-[3-(3-carbamimidoylphenyl)-2-oxo-1-quinolinyl]-N-[2-(2,6-dimethyl-1-piperidinyl)ethyl]acetamide IUPAC Name: 2-[3-(3-carbamimidoylphenyl)-2-oxoquinolin-1-yl]-N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]acetamide Traditional Name: 2-[3-(3-amidinophenyl)-2-keto-1-quinolyl]-N-[2-(2,6-dimethylpiperidino)ethyl]acetamide Formula: C27H33N5O2 MolecularWeight: 459.58322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1CCNC(=O)CN2C3=CC=CC=C3C=C(C2=O)C4=CC(=CC=C4)C(=N)N)C

Isomeric SMILES

CC1CCCC(N1CCNC(=O)CN2C3=CC=CC=C3C=C(C2=O)C4=CC(=CC=C4)C(=N)N)C

InChI

InChI=1S/C27H33N5O2/c1-18-7-5-8-19(2)31(18)14-13-30-25(33)17-32-24-12-4-3-9-21(24)16-23(27(32)34)20-10-6-11-22(15-20)26(28)29/h3-4,6,9-12,15-16,18-19H,5,7-8,13-14,17H2,1-2H3,(H3,28,29)(H,30,33)