3-[(7-chloranyl-2-ethyl-quinazolin-4-yl)-cyclohexyl-amino]-1-(4-ethylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[(7-chloranyl-2-ethyl-quinazolin-4-yl)-cyclohexyl-amino]-1-(4-ethylpiperazin-1-yl)propan-1-one Openeye Name: 3-[(7-chloro-2-ethyl-quinazolin-4-yl)-cyclohexyl-amino]-1-(4-ethylpiperazin-1-yl)propan-1-one CAS Name: 3-[(7-chloro-2-ethyl-4-quinazolinyl)-cyclohexylamino]-1-(4-ethyl-1-piperazinyl)-1-propanone IUPAC Name: 3-[(7-chloro-2-ethylquinazolin-4-yl)-cyclohexylamino]-1-(4-ethylpiperazin-1-yl)propan-1-one Traditional Name: 3-[(7-chloro-2-ethyl-quinazolin-4-yl)-cyclohexyl-amino]-1-(4-ethylpiperazino)propan-1-one Formula: C25H36ClN5O MolecularWeight: 458.03924

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=CC(=C2)Cl)C(=N1)N(CCC(=O)N3CCN(CC3)CC)C4CCCCC4

Isomeric SMILES

CCC1=NC2=C(C=CC(=C2)Cl)C(=N1)N(CCC(=O)N3CCN(CC3)CC)C4CCCCC4

InChI

InChI=1S/C25H36ClN5O/c1-3-23-27-22-18-19(26)10-11-21(22)25(28-23)31(20-8-6-5-7-9-20)13-12-24(32)30-16-14-29(4-2)15-17-30/h10-11,18,20H,3-9,12-17H2,1-2H3