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

Systemtic Name: 1-[3-[[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]methyl]-4-methoxy-phenyl]ethanone Openeye Name: 1-[3-[[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]methyl]-4-methoxy-phenyl]ethanone CAS Name: 1-[3-[[4-[(4-amino-2-quinazolinyl)methyl]-1-piperazinyl]methyl]-4-methoxyphenyl]ethanone IUPAC Name: 1-[3-[[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]methyl]-4-methoxyphenyl]ethanone Traditional Name: 1-[3-[[4-[(4-aminoquinazolin-2-yl)methyl]piperazino]methyl]-4-methoxy-phenyl]ethanone Formula: C23H27N5O2 MolecularWeight: 405.49278

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CN2CCN(CC2)CC3=NC4=CC=CC=C4C(=N3)N

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CN2CCN(CC2)CC3=NC4=CC=CC=C4C(=N3)N

InChI

InChI=1S/C23H27N5O2/c1-16(29)17-7-8-21(30-2)18(13-17)14-27-9-11-28(12-10-27)15-22-25-20-6-4-3-5-19(20)23(24)26-22/h3-8,13H,9-12,14-15H2,1-2H3,(H2,24,25,26)