3-[(7-chloranyl-2-cyclopropyl-quinazolin-4-yl)-(phenylmethyl)amino]-N-(4-fluorophenyl)propanamide

Systemtic Name: 3-[(7-chloranyl-2-cyclopropyl-quinazolin-4-yl)-(phenylmethyl)amino]-N-(4-fluorophenyl)propanamide Openeye Name: 3-[benzyl-(7-chloro-2-cyclopropyl-quinazolin-4-yl)amino]-N-(4-fluorophenyl)propanamide CAS Name: 3-[(7-chloro-2-cyclopropyl-4-quinazolinyl)-(phenylmethyl)amino]-N-(4-fluorophenyl)propanamide IUPAC Name: 3-[benzyl-(7-chloro-2-cyclopropylquinazolin-4-yl)amino]-N-(4-fluorophenyl)propanamide Traditional Name: 3-[benzyl-(7-chloro-2-cyclopropyl-quinazolin-4-yl)amino]-N-(4-fluorophenyl)propionamide Formula: C27H24ClFN4O MolecularWeight: 474.957063

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC3=C(C=CC(=C3)Cl)C(=N2)N(CCC(=O)NC4=CC=C(C=C4)F)CC5=CC=CC=C5

Isomeric SMILES

C1CC1C2=NC3=C(C=CC(=C3)Cl)C(=N2)N(CCC(=O)NC4=CC=C(C=C4)F)CC5=CC=CC=C5

InChI

InChI=1S/C27H24ClFN4O/c28-20-8-13-23-24(16-20)31-26(19-6-7-19)32-27(23)33(17-18-4-2-1-3-5-18)15-14-25(34)30-22-11-9-21(29)10-12-22/h1-5,8-13,16,19H,6-7,14-15,17H2,(H,30,34)