1-[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]-3-(1,3-benzodioxol-5-yl)propan-1-one

Systemtic Name: 1-[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]-3-(1,3-benzodioxol-5-yl)propan-1-one Openeye Name: 1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-3-(1,3-benzodioxol-5-yl)propan-1-one CAS Name: 1-[4-[(4-amino-2-quinazolinyl)methyl]-1-piperazinyl]-3-(1,3-benzodioxol-5-yl)-1-propanone IUPAC Name: 1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-3-(1,3-benzodioxol-5-yl)propan-1-one Traditional Name: 1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazino]-3-(1,3-benzodioxol-5-yl)propan-1-one Formula: C23H25N5O3 MolecularWeight: 419.4763

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=CC=CC=C3C(=N2)N)C(=O)CCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCN1CC2=NC3=CC=CC=C3C(=N2)N)C(=O)CCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H25N5O3/c24-23-17-3-1-2-4-18(17)25-21(26-23)14-27-9-11-28(12-10-27)22(29)8-6-16-5-7-19-20(13-16)31-15-30-19/h1-5,7,13H,6,8-12,14-15H2,(H2,24,25,26)