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

Systemtic Name: ethyl 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-cyano-quinazolin-2-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-cyano-quinazolin-2-yl]piperidine-4-carboxylate CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-cyano-2-quinazolinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-cyanoquinazolin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[6-cyano-4-(piperonylamino)quinazolin-2-yl]isonipecotic acid ethyl ester Formula: C25H25N5O4 MolecularWeight: 459.4971

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N5O4/c1-2-32-24(31)18-7-9-30(10-8-18)25-28-20-5-3-16(13-26)11-19(20)23(29-25)27-14-17-4-6-21-22(12-17)34-15-33-21/h3-6,11-12,18H,2,7-10,14-15H2,1H3,(H,27,28,29)