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

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloranyl-quinazolin-2-yl]piperidin-4-ol Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloro-quinazolin-2-yl]piperidin-4-ol CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloro-2-quinazolinyl]-4-piperidinol IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloroquinazolin-2-yl]piperidin-4-ol Traditional Name: 1-[6-chloro-4-(piperonylamino)quinazolin-2-yl]piperidin-4-ol Formula: C21H21ClN4O3 MolecularWeight: 412.86944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1O)C2=NC3=C(C=C(C=C3)Cl)C(=N2)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCC1O)C2=NC3=C(C=C(C=C3)Cl)C(=N2)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H21ClN4O3/c22-14-2-3-17-16(10-14)20(25-21(24-17)26-7-5-15(27)6-8-26)23-11-13-1-4-18-19(9-13)29-12-28-18/h1-4,9-10,15,27H,5-8,11-12H2,(H,23,24,25)