N-[(2S)-2-oxidanylbutyl]-1-(4,6,7-trimethylquinazolin-2-yl)piperidine-4-carboxamide

Systemtic Name: N-[(2S)-2-oxidanylbutyl]-1-(4,6,7-trimethylquinazolin-2-yl)piperidine-4-carboxamide Openeye Name: N-[(2S)-2-hydroxybutyl]-1-(4,6,7-trimethylquinazolin-2-yl)piperidine-4-carboxamide CAS Name: N-[(2S)-2-hydroxybutyl]-1-(4,6,7-trimethyl-2-quinazolinyl)-4-piperidinecarboxamide IUPAC Name: N-[(2S)-2-hydroxybutyl]-1-(4,6,7-trimethylquinazolin-2-yl)piperidine-4-carboxamide Traditional Name: N-[(2S)-2-hydroxybutyl]-1-(4,6,7-trimethylquinazolin-2-yl)isonipecotamide Formula: C21H30N4O2 MolecularWeight: 370.4885

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C1CCN(CC1)C2=NC3=CC(=C(C=C3C(=N2)C)C)C)O

Isomeric SMILES

CC[C@@H](CNC(=O)C1CCN(CC1)C2=NC3=CC(=C(C=C3C(=N2)C)C)C)O

InChI

InChI=1S/C21H30N4O2/c1-5-17(26)12-22-20(27)16-6-8-25(9-7-16)21-23-15(4)18-10-13(2)14(3)11-19(18)24-21/h10-11,16-17,26H,5-9,12H2,1-4H3,(H,22,27)/t17-/m0/s1