(3S)-N-(1,3-benzodioxol-5-ylmethyl)-1-(4,7-dimethylquinazolin-2-yl)piperidine-3-carboxamide

Systemtic Name: (3S)-N-(1,3-benzodioxol-5-ylmethyl)-1-(4,7-dimethylquinazolin-2-yl)piperidine-3-carboxamide Openeye Name: (3S)-N-(1,3-benzodioxol-5-ylmethyl)-1-(4,7-dimethylquinazolin-2-yl)piperidine-3-carboxamide CAS Name: (3S)-N-(1,3-benzodioxol-5-ylmethyl)-1-(4,7-dimethyl-2-quinazolinyl)-3-piperidinecarboxamide IUPAC Name: (3S)-N-(1,3-benzodioxol-5-ylmethyl)-1-(4,7-dimethylquinazolin-2-yl)piperidine-3-carboxamide Traditional Name: (3S)-1-(4,7-dimethylquinazolin-2-yl)-N-piperonyl-nipecotamide Formula: C24H26N4O3 MolecularWeight: 418.48824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=NC(=N2)N3CCCC(C3)C(=O)NCC4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=NC(=N2)N3CCC[C@@H](C3)C(=O)NCC4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C24H26N4O3/c1-15-5-7-19-16(2)26-24(27-20(19)10-15)28-9-3-4-18(13-28)23(29)25-12-17-6-8-21-22(11-17)31-14-30-21/h5-8,10-11,18H,3-4,9,12-14H2,1-2H3,(H,25,29)/t18-/m0/s1