1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloranyl-quinazolin-2-yl]piperidine-4-carbonitrile

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloranyl-quinazolin-2-yl]piperidine-4-carbonitrile Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloro-quinazolin-2-yl]piperidine-4-carbonitrile CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloro-2-quinazolinyl]-4-piperidinecarbonitrile IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloroquinazolin-2-yl]piperidine-4-carbonitrile Traditional Name: 1-[6-chloro-4-(piperonylamino)quinazolin-2-yl]isonipecotonitrile Formula: C22H20ClN5O2 MolecularWeight: 421.8795

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C#N)C2=NC3=C(C=C(C=C3)Cl)C(=N2)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCC1C#N)C2=NC3=C(C=C(C=C3)Cl)C(=N2)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H20ClN5O2/c23-16-2-3-18-17(10-16)21(25-12-15-1-4-19-20(9-15)30-13-29-19)27-22(26-18)28-7-5-14(11-24)6-8-28/h1-4,9-10,14H,5-8,12-13H2,(H,25,26,27)