1-[4-[[(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)-methyl-amino]methyl]-4-phenyl-piperidin-1-yl]butan-1-one

Systemtic Name: 1-[4-[[(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)-methyl-amino]methyl]-4-phenyl-piperidin-1-yl]butan-1-one Openeye Name: 1-[4-[[(4-amino-6,7-dimethoxy-quinazolin-2-yl)-methyl-amino]methyl]-4-phenyl-1-piperidyl]butan-1-one CAS Name: 1-[4-[[(4-amino-6,7-dimethoxy-2-quinazolinyl)-methylamino]methyl]-4-phenyl-1-piperidinyl]-1-butanone IUPAC Name: 1-[4-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]methyl]-4-phenylpiperidin-1-yl]butan-1-one Traditional Name: 1-[4-[[(4-amino-6,7-dimethoxy-quinazolin-2-yl)-methyl-amino]methyl]-4-phenyl-piperidino]butan-1-one Formula: C27H35N5O3 MolecularWeight: 477.5985

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCC(CC1)(CN(C)C2=NC3=CC(=C(C=C3C(=N2)N)OC)OC)C4=CC=CC=C4

Isomeric SMILES

CCCC(=O)N1CCC(CC1)(CN(C)C2=NC3=CC(=C(C=C3C(=N2)N)OC)OC)C4=CC=CC=C4

InChI

InChI=1S/C27H35N5O3/c1-5-9-24(33)32-14-12-27(13-15-32,19-10-7-6-8-11-19)18-31(2)26-29-21-17-23(35-4)22(34-3)16-20(21)25(28)30-26/h6-8,10-11,16-17H,5,9,12-15,18H2,1-4H3,(H2,28,29,30)