ethyl 2-[[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]methyl]-4-methyl-quinoline-3-carboxylate

Systemtic Name: ethyl 2-[[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]methyl]-4-methyl-quinoline-3-carboxylate Openeye Name: ethyl 2-[[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]methyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[4-[(4-amino-2-quinazolinyl)methyl]-1-piperazinyl]methyl]-4-methyl-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]methyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[4-[(4-aminoquinazolin-2-yl)methyl]piperazino]methyl]-4-methyl-quinoline-3-carboxylic acid ethyl ester Formula: C27H30N6O2 MolecularWeight: 470.5661

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CN3CCN(CC3)CC4=NC5=CC=CC=C5C(=N4)N)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CN3CCN(CC3)CC4=NC5=CC=CC=C5C(=N4)N)C

InChI

InChI=1S/C27H30N6O2/c1-3-35-27(34)25-18(2)19-8-4-6-10-21(19)29-23(25)16-32-12-14-33(15-13-32)17-24-30-22-11-7-5-9-20(22)26(28)31-24/h4-11H,3,12-17H2,1-2H3,(H2,28,30,31)