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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=NC3=C(C=C(C=C3)Cl)C(=N2)NCC4=CC5=C(C=C4)OCO5)CO

Isomeric SMILES

C1CC(N(C1)C2=NC3=C(C=C(C=C3)Cl)C(=N2)NCC4=CC5=C(C=C4)OCO5)CO

InChI

InChI=1S/C21H21ClN4O3/c22-14-4-5-17-16(9-14)20(25-21(24-17)26-7-1-2-15(26)11-27)23-10-13-3-6-18-19(8-13)29-12-28-18/h3-6,8-9,15,27H,1-2,7,10-12H2,(H,23,24,25)