ethyl 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-(dimethylamino)quinazolin-2-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-(dimethylamino)quinazolin-2-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-(dimethylamino)quinazolin-2-yl]piperidine-4-carboxylate CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-(dimethylamino)-2-quinazolinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-(dimethylamino)quinazolin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[6-(dimethylamino)-4-(piperonylamino)quinazolin-2-yl]isonipecotic acid ethyl ester Formula: C26H31N5O4 MolecularWeight: 477.55544

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=NC3=C(C=C(C=C3)N(C)C)C(=N2)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=NC3=C(C=C(C=C3)N(C)C)C(=N2)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H31N5O4/c1-4-33-25(32)18-9-11-31(12-10-18)26-28-21-7-6-19(30(2)3)14-20(21)24(29-26)27-15-17-5-8-22-23(13-17)35-16-34-22/h5-8,13-14,18H,4,9-12,15-16H2,1-3H3,(H,27,28,29)