6-(3-azanylprop-1-ynyl)-N-(3-chloranyl-4-phenoxy-phenyl)quinazolin-4-amine

Systemtic Name: 6-(3-azanylprop-1-ynyl)-N-(3-chloranyl-4-phenoxy-phenyl)quinazolin-4-amine Openeye Name: 6-(3-aminoprop-1-ynyl)-N-(3-chloro-4-phenoxy-phenyl)quinazolin-4-amine CAS Name: 6-(3-aminoprop-1-ynyl)-N-(3-chloro-4-phenoxyphenyl)-4-quinazolinamine IUPAC Name: 6-(3-aminoprop-1-ynyl)-N-(3-chloro-4-phenoxyphenyl)quinazolin-4-amine Traditional Name: [6-(3-aminoprop-1-ynyl)quinazolin-4-yl]-(3-chloro-4-phenoxy-phenyl)amine Formula: C23H17ClN4O MolecularWeight: 400.86028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)C#CCN)Cl

Isomeric SMILES

C1=CC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)C#CCN)Cl

InChI

InChI=1S/C23H17ClN4O/c24-20-14-17(9-11-22(20)29-18-6-2-1-3-7-18)28-23-19-13-16(5-4-12-25)8-10-21(19)26-15-27-23/h1-3,6-11,13-15H,12,25H2,(H,26,27,28)