N-[(2S)-1-[[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-yl]amino]-1,8-bis(oxidanylidene)nonan-2-yl]benzamide

Systemtic Name: N-[(2S)-1-[[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-yl]amino]-1,8-bis(oxidanylidene)nonan-2-yl]benzamide Openeye Name: N-[(1S)-1-[[4-(3-chloro-4-fluoro-anilino)-7-methoxy-quinazolin-6-yl]carbamoyl]-7-oxo-octyl]benzamide CAS Name: N-[(2S)-1-[[4-(3-chloro-4-fluoroanilino)-7-methoxy-6-quinazolinyl]amino]-1,8-dioxononan-2-yl]benzamide IUPAC Name: N-[(2S)-1-[[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]amino]-1,8-dioxononan-2-yl]benzamide Traditional Name: N-[(1S)-1-[[4-(3-chloro-4-fluoro-anilino)-7-methoxy-quinazolin-6-yl]carbamoyl]-7-keto-octyl]benzamide Formula: C31H31ClFN5O4 MolecularWeight: 592.060343

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCCCCC(C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OC)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CC(=O)CCCCC[C@@H](C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OC)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C31H31ClFN5O4/c1-19(39)9-5-3-8-12-25(37-30(40)20-10-6-4-7-11-20)31(41)38-27-16-22-26(17-28(27)42-2)34-18-35-29(22)36-21-13-14-24(33)23(32)15-21/h4,6-7,10-11,13-18,25H,3,5,8-9,12H2,1-2H3,(H,37,40)(H,38,41)(H,34,35,36)/t25-/m0/s1