8-azanyl-1-[4-(2-azanylquinazolin-4-yl)piperidin-1-yl]octan-1-one

Systemtic Name: 8-azanyl-1-[4-(2-azanylquinazolin-4-yl)piperidin-1-yl]octan-1-one Openeye Name: 8-amino-1-[4-(2-aminoquinazolin-4-yl)-1-piperidyl]octan-1-one CAS Name: 8-amino-1-[4-(2-amino-4-quinazolinyl)-1-piperidinyl]-1-octanone IUPAC Name: 8-amino-1-[4-(2-aminoquinazolin-4-yl)piperidin-1-yl]octan-1-one Traditional Name: 8-amino-1-[4-(2-aminoquinazolin-4-yl)piperidino]octan-1-one Formula: C21H31N5O MolecularWeight: 369.50374

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC(=NC3=CC=CC=C32)N)C(=O)CCCCCCCN

Isomeric SMILES

C1CN(CCC1C2=NC(=NC3=CC=CC=C32)N)C(=O)CCCCCCCN

InChI

InChI=1S/C21H31N5O/c22-13-7-3-1-2-4-10-19(27)26-14-11-16(12-15-26)20-17-8-5-6-9-18(17)24-21(23)25-20/h5-6,8-9,16H,1-4,7,10-15,22H2,(H2,23,24,25)