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

Systemtic Name: 3-[(7-chloranyl-2-ethyl-quinazolin-4-yl)-phenethyl-amino]-1-(4-ethylpiperazin-1-yl)propan-1-one Openeye Name: 3-[(7-chloro-2-ethyl-quinazolin-4-yl)-phenethyl-amino]-1-(4-ethylpiperazin-1-yl)propan-1-one CAS Name: 3-[(7-chloro-2-ethyl-4-quinazolinyl)-phenethylamino]-1-(4-ethyl-1-piperazinyl)-1-propanone IUPAC Name: 3-[(7-chloro-2-ethylquinazolin-4-yl)-phenethylamino]-1-(4-ethylpiperazin-1-yl)propan-1-one Traditional Name: 3-[(7-chloro-2-ethyl-quinazolin-4-yl)-phenethyl-amino]-1-(4-ethylpiperazino)propan-1-one Formula: C27H34ClN5O MolecularWeight: 480.04476

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=CC(=C2)Cl)C(=N1)N(CCC3=CC=CC=C3)CCC(=O)N4CCN(CC4)CC

Isomeric SMILES

CCC1=NC2=C(C=CC(=C2)Cl)C(=N1)N(CCC3=CC=CC=C3)CCC(=O)N4CCN(CC4)CC

InChI

InChI=1S/C27H34ClN5O/c1-3-25-29-24-20-22(28)10-11-23(24)27(30-25)33(14-12-21-8-6-5-7-9-21)15-13-26(34)32-18-16-31(4-2)17-19-32/h5-11,20H,3-4,12-19H2,1-2H3