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

Systemtic Name: N-methyl-1-[2-[(2-methylquinolin-4-yl)carbamoylamino]ethyl]-N-(phenylmethyl)piperidine-3-carboxamide Openeye Name: N-benzyl-N-methyl-1-[2-[(2-methyl-4-quinolyl)carbamoylamino]ethyl]piperidine-3-carboxamide CAS Name: N-methyl-1-[2-[[[(2-methyl-4-quinolinyl)amino]-oxomethyl]amino]ethyl]-N-(phenylmethyl)-3-piperidinecarboxamide IUPAC Name: N-benzyl-N-methyl-1-[2-[(2-methylquinolin-4-yl)carbamoylamino]ethyl]piperidine-3-carboxamide Traditional Name: N-benzyl-N-methyl-1-[2-[(2-methyl-4-quinolyl)carbamoylamino]ethyl]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)N(C)CC4=CC=CC=C4

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)NC(=O)NCCN3CCCC(C3)C(=O)N(C)CC4=CC=CC=C4

InChI

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