1-[2-[(2-methylquinolin-4-yl)carbamoylamino]ethyl]-N-phenethyl-piperidine-3-carboxamide

Systemtic Name: 1-[2-[(2-methylquinolin-4-yl)carbamoylamino]ethyl]-N-phenethyl-piperidine-3-carboxamide Openeye Name: 1-[2-[(2-methyl-4-quinolyl)carbamoylamino]ethyl]-N-phenethyl-piperidine-3-carboxamide CAS Name: 1-[2-[[[(2-methyl-4-quinolinyl)amino]-oxomethyl]amino]ethyl]-N-phenethyl-3-piperidinecarboxamide IUPAC Name: 1-[2-[(2-methylquinolin-4-yl)carbamoylamino]ethyl]-N-phenethylpiperidine-3-carboxamide Traditional Name: 1-[2-[(2-methyl-4-quinolyl)carbamoylamino]ethyl]-N-phenethyl-nipecotamide Formula: C27H33N5O2 MolecularWeight: 459.58322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)NC(=O)NCCN3CCCC(C3)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)NC(=O)NCCN3CCCC(C3)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C27H33N5O2/c1-20-18-25(23-11-5-6-12-24(23)30-20)31-27(34)29-15-17-32-16-7-10-22(19-32)26(33)28-14-13-21-8-3-2-4-9-21/h2-6,8-9,11-12,18,22H,7,10,13-17,19H2,1H3,(H,28,33)(H2,29,30,31,34)