N-(3-methyl-4-phenoxy-phenyl)-6-[2-[(3S)-piperidin-3-yl]ethynyl]quinazolin-4-amine

Systemtic Name: N-(3-methyl-4-phenoxy-phenyl)-6-[2-[(3S)-piperidin-3-yl]ethynyl]quinazolin-4-amine Openeye Name: N-(3-methyl-4-phenoxy-phenyl)-6-[2-[(3S)-3-piperidyl]ethynyl]quinazolin-4-amine CAS Name: N-(3-methyl-4-phenoxyphenyl)-6-[2-[(3S)-3-piperidinyl]ethynyl]-4-quinazolinamine IUPAC Name: N-(3-methyl-4-phenoxyphenyl)-6-[2-[(3S)-piperidin-3-yl]ethynyl]quinazolin-4-amine Traditional Name: (3-methyl-4-phenoxy-phenyl)-[6-[2-[(3S)-3-piperidyl]ethynyl]quinazolin-4-yl]amine Formula: C28H26N4O MolecularWeight: 434.53224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC4CCCNC4)OC5=CC=CC=C5

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#C[C@@H]4CCCNC4)OC5=CC=CC=C5

InChI

InChI=1S/C28H26N4O/c1-20-16-23(12-14-27(20)33-24-7-3-2-4-8-24)32-28-25-17-21(11-13-26(25)30-19-31-28)9-10-22-6-5-15-29-18-22/h2-4,7-8,11-14,16-17,19,22,29H,5-6,15,18H2,1H3,(H,30,31,32)/t22-/m0/s1