2-butyl-5-chloranyl-3-[3-[4-[(3-ethynylphenyl)amino]-7-methoxy-quinazolin-6-yl]oxypropyl]imidazole-4-carbaldehyde

Systemtic Name: 2-butyl-5-chloranyl-3-[3-[4-[(3-ethynylphenyl)amino]-7-methoxy-quinazolin-6-yl]oxypropyl]imidazole-4-carbaldehyde Openeye Name: 2-butyl-5-chloro-3-[3-[4-(3-ethynylanilino)-7-methoxy-quinazolin-6-yl]oxypropyl]imidazole-4-carbaldehyde CAS Name: 2-butyl-5-chloro-3-[3-[[4-(3-ethynylanilino)-7-methoxy-6-quinazolinyl]oxy]propyl]-4-imidazolecarboxaldehyde IUPAC Name: 2-butyl-5-chloro-3-[3-[4-(3-ethynylanilino)-7-methoxyquinazolin-6-yl]oxypropyl]imidazole-4-carbaldehyde Traditional Name: 2-butyl-5-chloro-3-[3-[4-(3-ethynylanilino)-7-methoxy-quinazolin-6-yl]oxypropyl]imidazole-4-carbaldehyde Formula: C28H28ClN5O3 MolecularWeight: 518.00662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CCCOC2=C(C=C3C(=C2)C(=NC=N3)NC4=CC=CC(=C4)C#C)OC)C=O)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1CCCOC2=C(C=C3C(=C2)C(=NC=N3)NC4=CC=CC(=C4)C#C)OC)C=O)Cl

InChI

InChI=1S/C28H28ClN5O3/c1-4-6-11-26-33-27(29)23(17-35)34(26)12-8-13-37-25-15-21-22(16-24(25)36-3)30-18-31-28(21)32-20-10-7-9-19(5-2)14-20/h2,7,9-10,14-18H,4,6,8,11-13H2,1,3H3,(H,30,31,32)