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

Systemtic Name: [4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]-(1,3-benzodioxol-5-yl)methanone Openeye Name: [4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-(1,3-benzodioxol-5-yl)methanone CAS Name: [4-[(4-amino-2-quinazolinyl)methyl]-1-piperazinyl]-(1,3-benzodioxol-5-yl)methanone IUPAC Name: [4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-(1,3-benzodioxol-5-yl)methanone Traditional Name: [4-[(4-aminoquinazolin-2-yl)methyl]piperazino]-(1,3-benzodioxol-5-yl)methanone Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O3/c22-20-15-3-1-2-4-16(15)23-19(24-20)12-25-7-9-26(10-8-25)21(27)14-5-6-17-18(11-14)29-13-28-17/h1-6,11H,7-10,12-13H2,(H2,22,23,24)