3-morpholin-4-ylpropyl (E)-4-[[4-(6-azido-2,3-dihydroindol-1-yl)quinazolin-6-yl]amino]-4-oxidanylidene-but-2-enoate

Systemtic Name: 3-morpholin-4-ylpropyl (E)-4-[[4-(6-azido-2,3-dihydroindol-1-yl)quinazolin-6-yl]amino]-4-oxidanylidene-but-2-enoate Openeye Name: 3-morpholinopropyl (E)-4-[[4-(6-azidoindolin-1-yl)quinazolin-6-yl]amino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[4-(6-azido-2,3-dihydroindol-1-yl)-6-quinazolinyl]amino]-4-oxo-2-butenoic acid 3-(4-morpholinyl)propyl ester IUPAC Name: 3-morpholin-4-ylpropyl (E)-4-[[4-(6-azido-2,3-dihydroindol-1-yl)quinazolin-6-yl]amino]-4-oxobut-2-enoate Traditional Name: (E)-4-[[4-(6-azidoindolin-1-yl)quinazolin-6-yl]amino]-4-keto-but-2-enoic acid 3-morpholinopropyl ester Formula: C27H28N8O4 MolecularWeight: 528.56242

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=C1C=CC(=C2)N=[N+]=[N-])C3=NC=NC4=C3C=C(C=C4)NC(=O)C=CC(=O)OCCCN5CCOCC5

Isomeric SMILES

C1CN(C2=C1C=CC(=C2)N=[N+]=[N-])C3=NC=NC4=C3C=C(C=C4)NC(=O)/C=C/C(=O)OCCCN5CCOCC5

InChI

InChI=1S/C27H28N8O4/c28-33-32-21-3-2-19-8-10-35(24(19)17-21)27-22-16-20(4-5-23(22)29-18-30-27)31-25(36)6-7-26(37)39-13-1-9-34-11-14-38-15-12-34/h2-7,16-18H,1,8-15H2,(H,31,36)/b7-6+