3-[1-[2-[(3-chlorophenyl)-phenyl-amino]ethyl]piperidin-4-yl]quinazolin-4-one

Systemtic Name: 3-[1-[2-[(3-chlorophenyl)-phenyl-amino]ethyl]piperidin-4-yl]quinazolin-4-one Openeye Name: 3-[1-[2-(N-(3-chlorophenyl)anilino)ethyl]-4-piperidyl]quinazolin-4-one CAS Name: 3-[1-[2-(N-(3-chlorophenyl)anilino)ethyl]-4-piperidinyl]-4-quinazolinone IUPAC Name: 3-[1-[2-(N-(3-chlorophenyl)anilino)ethyl]piperidin-4-yl]quinazolin-4-one Traditional Name: 3-[1-[2-(N-(3-chlorophenyl)anilino)ethyl]-4-piperidyl]quinazolin-4-one Formula: C27H27ClN4O MolecularWeight: 458.98248

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C=NC3=CC=CC=C3C2=O)CCN(C4=CC=CC=C4)C5=CC(=CC=C5)Cl

Isomeric SMILES

C1CN(CCC1N2C=NC3=CC=CC=C3C2=O)CCN(C4=CC=CC=C4)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C27H27ClN4O/c28-21-7-6-10-24(19-21)31(22-8-2-1-3-9-22)18-17-30-15-13-23(14-16-30)32-20-29-26-12-5-4-11-25(26)27(32)33/h1-12,19-20,23H,13-18H2