N-(3-chloranyl-4-phenoxy-phenyl)-6-[3-(methylamino)prop-1-ynyl]quinazolin-4-amine

Systemtic Name: N-(3-chloranyl-4-phenoxy-phenyl)-6-[3-(methylamino)prop-1-ynyl]quinazolin-4-amine Openeye Name: N-(3-chloro-4-phenoxy-phenyl)-6-[3-(methylamino)prop-1-ynyl]quinazolin-4-amine CAS Name: N-(3-chloro-4-phenoxyphenyl)-6-[3-(methylamino)prop-1-ynyl]-4-quinazolinamine IUPAC Name: N-(3-chloro-4-phenoxyphenyl)-6-[3-(methylamino)prop-1-ynyl]quinazolin-4-amine Traditional Name: 3-[4-(3-chloro-4-phenoxy-anilino)quinazolin-6-yl]prop-2-ynyl-methyl-amine Formula: C24H19ClN4O MolecularWeight: 414.88686

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Descriptors Computed from Structure

Canonical SMILES:

CNCC#CC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)OC4=CC=CC=C4)Cl

Isomeric SMILES

CNCC#CC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)OC4=CC=CC=C4)Cl

InChI

InChI=1S/C24H19ClN4O/c1-26-13-5-6-17-9-11-22-20(14-17)24(28-16-27-22)29-18-10-12-23(21(25)15-18)30-19-7-3-2-4-8-19/h2-4,7-12,14-16,26H,13H2,1H3,(H,27,28,29)