1-[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]-2-(3-chloranylphenoxy)ethanone

Systemtic Name: 1-[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]-2-(3-chloranylphenoxy)ethanone Openeye Name: 1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-(3-chlorophenoxy)ethanone CAS Name: 1-[4-[(4-amino-2-quinazolinyl)methyl]-1-piperazinyl]-2-(3-chlorophenoxy)ethanone IUPAC Name: 1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-(3-chlorophenoxy)ethanone Traditional Name: 1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazino]-2-(3-chlorophenoxy)ethanone Formula: C21H22ClN5O2 MolecularWeight: 411.88468

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=CC=CC=C3C(=N2)N)C(=O)COC4=CC(=CC=C4)Cl

Isomeric SMILES

C1CN(CCN1CC2=NC3=CC=CC=C3C(=N2)N)C(=O)COC4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H22ClN5O2/c22-15-4-3-5-16(12-15)29-14-20(28)27-10-8-26(9-11-27)13-19-24-18-7-2-1-6-17(18)21(23)25-19/h1-7,12H,8-11,13-14H2,(H2,23,24,25)