3-[1-[3-[phenyl(pyridin-3-yl)amino]propyl]piperidin-4-yl]quinazolin-4-one

Systemtic Name: 3-[1-[3-[phenyl(pyridin-3-yl)amino]propyl]piperidin-4-yl]quinazolin-4-one Openeye Name: 3-[1-[3-[N-(3-pyridyl)anilino]propyl]-4-piperidyl]quinazolin-4-one CAS Name: 3-[1-[3-[N-(3-pyridinyl)anilino]propyl]-4-piperidinyl]-4-quinazolinone IUPAC Name: 3-[1-[3-(N-pyridin-3-ylanilino)propyl]piperidin-4-yl]quinazolin-4-one Traditional Name: 3-[1-[3-[N-(3-pyridyl)anilino]propyl]-4-piperidyl]quinazolin-4-one Formula: C27H29N5O MolecularWeight: 439.55206

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C=NC3=CC=CC=C3C2=O)CCCN(C4=CC=CC=C4)C5=CN=CC=C5

Isomeric SMILES

C1CN(CCC1N2C=NC3=CC=CC=C3C2=O)CCCN(C4=CC=CC=C4)C5=CN=CC=C5

InChI

InChI=1S/C27H29N5O/c33-27-25-11-4-5-12-26(25)29-21-32(27)23-13-18-30(19-14-23)16-7-17-31(22-8-2-1-3-9-22)24-10-6-15-28-20-24/h1-6,8-12,15,20-21,23H,7,13-14,16-19H2