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

Systemtic Name: 3-[(7-chloranyl-2-cyclopropyl-quinazolin-4-yl)-propan-2-yl-amino]-1-(4-ethylpiperazin-1-yl)propan-1-one Openeye Name: 3-[(7-chloro-2-cyclopropyl-quinazolin-4-yl)-isopropyl-amino]-1-(4-ethylpiperazin-1-yl)propan-1-one CAS Name: 3-[(7-chloro-2-cyclopropyl-4-quinazolinyl)-propan-2-ylamino]-1-(4-ethyl-1-piperazinyl)-1-propanone IUPAC Name: 3-[(7-chloro-2-cyclopropylquinazolin-4-yl)-propan-2-ylamino]-1-(4-ethylpiperazin-1-yl)propan-1-one Traditional Name: 3-[(7-chloro-2-cyclopropyl-quinazolin-4-yl)-isopropyl-amino]-1-(4-ethylpiperazino)propan-1-one Formula: C23H32ClN5O MolecularWeight: 429.98608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)CCN(C2=NC(=NC3=C2C=CC(=C3)Cl)C4CC4)C(C)C

Isomeric SMILES

CCN1CCN(CC1)C(=O)CCN(C2=NC(=NC3=C2C=CC(=C3)Cl)C4CC4)C(C)C

InChI

InChI=1S/C23H32ClN5O/c1-4-27-11-13-28(14-12-27)21(30)9-10-29(16(2)3)23-19-8-7-18(24)15-20(19)25-22(26-23)17-5-6-17/h7-8,15-17H,4-6,9-14H2,1-3H3