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

Systemtic Name: N-[(4-bromophenyl)methyl]-1-[2-[(2-methylquinolin-4-yl)carbamoylamino]ethyl]piperidine-3-carboxamide Openeye Name: N-[(4-bromophenyl)methyl]-1-[2-[(2-methyl-4-quinolyl)carbamoylamino]ethyl]piperidine-3-carboxamide CAS Name: N-[(4-bromophenyl)methyl]-1-[2-[[[(2-methyl-4-quinolinyl)amino]-oxomethyl]amino]ethyl]-3-piperidinecarboxamide IUPAC Name: N-[(4-bromophenyl)methyl]-1-[2-[(2-methylquinolin-4-yl)carbamoylamino]ethyl]piperidine-3-carboxamide Traditional Name: N-(4-bromobenzyl)-1-[2-[(2-methyl-4-quinolyl)carbamoylamino]ethyl]nipecotamide Formula: C26H30BrN5O2 MolecularWeight: 524.4527

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)NC(=O)NCCN3CCCC(C3)C(=O)NCC4=CC=C(C=C4)Br

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)NC(=O)NCCN3CCCC(C3)C(=O)NCC4=CC=C(C=C4)Br

InChI

InChI=1S/C26H30BrN5O2/c1-18-15-24(22-6-2-3-7-23(22)30-18)31-26(34)28-12-14-32-13-4-5-20(17-32)25(33)29-16-19-8-10-21(27)11-9-19/h2-3,6-11,15,20H,4-5,12-14,16-17H2,1H3,(H,29,33)(H2,28,30,31,34)