3-[1-[2-[(3,5-dimethylphenyl)-pyridin-2-yl-amino]ethyl]piperidin-4-yl]quinazolin-4-one

Systemtic Name: 3-[1-[2-[(3,5-dimethylphenyl)-pyridin-2-yl-amino]ethyl]piperidin-4-yl]quinazolin-4-one Openeye Name: 3-[1-[2-[3,5-dimethyl-N-(2-pyridyl)anilino]ethyl]-4-piperidyl]quinazolin-4-one CAS Name: 3-[1-[2-[3,5-dimethyl-N-(2-pyridinyl)anilino]ethyl]-4-piperidinyl]-4-quinazolinone IUPAC Name: 3-[1-[2-(3,5-dimethyl-N-pyridin-2-ylanilino)ethyl]piperidin-4-yl]quinazolin-4-one Traditional Name: 3-[1-[2-[3,5-dimethyl-N-(2-pyridyl)anilino]ethyl]-4-piperidyl]quinazolin-4-one Formula: C28H31N5O MolecularWeight: 453.57864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(CCN2CCC(CC2)N3C=NC4=CC=CC=C4C3=O)C5=CC=CC=N5)C

Isomeric SMILES

CC1=CC(=CC(=C1)N(CCN2CCC(CC2)N3C=NC4=CC=CC=C4C3=O)C5=CC=CC=N5)C

InChI

InChI=1S/C28H31N5O/c1-21-17-22(2)19-24(18-21)32(27-9-5-6-12-29-27)16-15-31-13-10-23(11-14-31)33-20-30-26-8-4-3-7-25(26)28(33)34/h3-9,12,17-20,23H,10-11,13-16H2,1-2H3