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

Systemtic Name: N-methyl-1-[2-[(2-methylquinolin-4-yl)carbamoylamino]ethyl]-N-phenethyl-piperidine-3-carboxamide Openeye Name: N-methyl-1-[2-[(2-methyl-4-quinolyl)carbamoylamino]ethyl]-N-phenethyl-piperidine-3-carboxamide CAS Name: N-methyl-1-[2-[[[(2-methyl-4-quinolinyl)amino]-oxomethyl]amino]ethyl]-N-phenethyl-3-piperidinecarboxamide IUPAC Name: N-methyl-1-[2-[(2-methylquinolin-4-yl)carbamoylamino]ethyl]-N-phenethylpiperidine-3-carboxamide Traditional Name: N-methyl-1-[2-[(2-methyl-4-quinolyl)carbamoylamino]ethyl]-N-phenethyl-nipecotamide Formula: C28H35N5O2 MolecularWeight: 473.6098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)NC(=O)NCCN3CCCC(C3)C(=O)N(C)CCC4=CC=CC=C4

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)NC(=O)NCCN3CCCC(C3)C(=O)N(C)CCC4=CC=CC=C4

InChI

InChI=1S/C28H35N5O2/c1-21-19-26(24-12-6-7-13-25(24)30-21)31-28(35)29-15-18-33-16-8-11-23(20-33)27(34)32(2)17-14-22-9-4-3-5-10-22/h3-7,9-10,12-13,19,23H,8,11,14-18,20H2,1-2H3,(H2,29,30,31,35)