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

Systemtic Name: 3-[(7-chloranyl-2-ethyl-quinazolin-4-yl)-propan-2-yl-amino]-1-(4-ethylpiperazin-1-yl)propan-1-one Openeye Name: 3-[(7-chloro-2-ethyl-quinazolin-4-yl)-isopropyl-amino]-1-(4-ethylpiperazin-1-yl)propan-1-one CAS Name: 3-[(7-chloro-2-ethyl-4-quinazolinyl)-propan-2-ylamino]-1-(4-ethyl-1-piperazinyl)-1-propanone IUPAC Name: 3-[(7-chloro-2-ethylquinazolin-4-yl)-propan-2-ylamino]-1-(4-ethylpiperazin-1-yl)propan-1-one Traditional Name: 3-[(7-chloro-2-ethyl-quinazolin-4-yl)-isopropyl-amino]-1-(4-ethylpiperazino)propan-1-one Formula: C22H32ClN5O MolecularWeight: 417.97538

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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)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H32ClN5O/c1-5-20-24-19-15-17(23)7-8-18(19)22(25-20)28(16(3)4)10-9-21(29)27-13-11-26(6-2)12-14-27/h7-8,15-16H,5-6,9-14H2,1-4H3