1-[4-[3-[4-[(3-methyl-4-phenoxy-phenyl)amino]quinazolin-6-yl]prop-2-ynyl]piperazin-1-yl]ethanone

Systemtic Name: 1-[4-[3-[4-[(3-methyl-4-phenoxy-phenyl)amino]quinazolin-6-yl]prop-2-ynyl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[3-[4-(3-methyl-4-phenoxy-anilino)quinazolin-6-yl]prop-2-ynyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[3-[4-(3-methyl-4-phenoxyanilino)-6-quinazolinyl]prop-2-ynyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[3-[4-(3-methyl-4-phenoxyanilino)quinazolin-6-yl]prop-2-ynyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[3-[4-(3-methyl-4-phenoxy-anilino)quinazolin-6-yl]prop-2-ynyl]piperazino]ethanone Formula: C30H29N5O2 MolecularWeight: 491.58356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CCN4CCN(CC4)C(=O)C)OC5=CC=CC=C5

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CCN4CCN(CC4)C(=O)C)OC5=CC=CC=C5

InChI

InChI=1S/C30H29N5O2/c1-22-19-25(11-13-29(22)37-26-8-4-3-5-9-26)33-30-27-20-24(10-12-28(27)31-21-32-30)7-6-14-34-15-17-35(18-16-34)23(2)36/h3-5,8-13,19-21H,14-18H2,1-2H3,(H,31,32,33)