(3S)-1-(4,7-dimethylquinazolin-2-yl)-N-[(2S)-2-methylbutyl]piperidine-3-carboxamide

Systemtic Name: (3S)-1-(4,7-dimethylquinazolin-2-yl)-N-[(2S)-2-methylbutyl]piperidine-3-carboxamide Openeye Name: (3S)-1-(4,7-dimethylquinazolin-2-yl)-N-[(2S)-2-methylbutyl]piperidine-3-carboxamide CAS Name: (3S)-1-(4,7-dimethyl-2-quinazolinyl)-N-[(2S)-2-methylbutyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(4,7-dimethylquinazolin-2-yl)-N-[(2S)-2-methylbutyl]piperidine-3-carboxamide Traditional Name: (3S)-1-(4,7-dimethylquinazolin-2-yl)-N-[(2S)-2-methylbutyl]nipecotamide Formula: C21H30N4O MolecularWeight: 354.4891

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CNC(=O)C1CCCN(C1)C2=NC3=C(C=CC(=C3)C)C(=N2)C

Isomeric SMILES

CC[C@H](C)CNC(=O)[C@H]1CCCN(C1)C2=NC3=C(C=CC(=C3)C)C(=N2)C

InChI

InChI=1S/C21H30N4O/c1-5-14(2)12-22-20(26)17-7-6-10-25(13-17)21-23-16(4)18-9-8-15(3)11-19(18)24-21/h8-9,11,14,17H,5-7,10,12-13H2,1-4H3,(H,22,26)/t14-,17-/m0/s1