4-[(4-azanylquinazolin-2-yl)methyl]-N-(1,3-benzodioxol-5-yl)piperazine-1-carboxamide

Systemtic Name: 4-[(4-azanylquinazolin-2-yl)methyl]-N-(1,3-benzodioxol-5-yl)piperazine-1-carboxamide Openeye Name: 4-[(4-aminoquinazolin-2-yl)methyl]-N-(1,3-benzodioxol-5-yl)piperazine-1-carboxamide CAS Name: 4-[(4-amino-2-quinazolinyl)methyl]-N-(1,3-benzodioxol-5-yl)-1-piperazinecarboxamide IUPAC Name: 4-[(4-aminoquinazolin-2-yl)methyl]-N-(1,3-benzodioxol-5-yl)piperazine-1-carboxamide Traditional Name: 4-[(4-aminoquinazolin-2-yl)methyl]-N-(1,3-benzodioxol-5-yl)piperazine-1-carboxamide Formula: C21H22N6O3 MolecularWeight: 406.43778

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=CC=CC=C3C(=N2)N)C(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCN1CC2=NC3=CC=CC=C3C(=N2)N)C(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H22N6O3/c22-20-15-3-1-2-4-16(15)24-19(25-20)12-26-7-9-27(10-8-26)21(28)23-14-5-6-17-18(11-14)30-13-29-17/h1-6,11H,7-10,12-13H2,(H,23,28)(H2,22,24,25)