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

Systemtic Name: 3-[(7-chloranyl-2-cyclopropyl-quinazolin-4-yl)-cyclopropyl-amino]-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one Openeye Name: 3-[(7-chloro-2-cyclopropyl-quinazolin-4-yl)-cyclopropyl-amino]-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one CAS Name: 3-[(7-chloro-2-cyclopropyl-4-quinazolinyl)-cyclopropylamino]-1-(4-ethyl-1-piperazin-4-iumyl)-1-propanone IUPAC Name: 3-[(7-chloro-2-cyclopropylquinazolin-4-yl)-cyclopropylamino]-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one Traditional Name: 3-[(7-chloro-2-cyclopropyl-quinazolin-4-yl)-cyclopropyl-amino]-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one Formula: C23H31ClN5O+ MolecularWeight: 428.97814

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)CCN(C2CC2)C3=NC(=NC4=C3C=CC(=C4)Cl)C5CC5

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)CCN(C2CC2)C3=NC(=NC4=C3C=CC(=C4)Cl)C5CC5

InChI

InChI=1S/C23H30ClN5O/c1-2-27-11-13-28(14-12-27)21(30)9-10-29(18-6-7-18)23-19-8-5-17(24)15-20(19)25-22(26-23)16-3-4-16/h5,8,15-16,18H,2-4,6-7,9-14H2,1H3/p+1