1-[4-[(4-methoxyphenyl)-(phenylmethyl)amino]quinazolin-2-yl]-4-phenyl-piperidine-4-carbonitrile

Systemtic Name: 1-[4-[(4-methoxyphenyl)-(phenylmethyl)amino]quinazolin-2-yl]-4-phenyl-piperidine-4-carbonitrile Openeye Name: 1-[4-(N-benzyl-4-methoxy-anilino)quinazolin-2-yl]-4-phenyl-piperidine-4-carbonitrile CAS Name: 1-[4-(4-methoxy-N-(phenylmethyl)anilino)-2-quinazolinyl]-4-phenyl-4-piperidinecarbonitrile IUPAC Name: 1-[4-(N-benzyl-4-methoxyanilino)quinazolin-2-yl]-4-phenylpiperidine-4-carbonitrile Traditional Name: 1-[4-(N-benzyl-4-methoxy-anilino)quinazolin-2-yl]-4-phenyl-isonipecotonitrile Formula: C34H31N5O MolecularWeight: 525.64284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N(CC2=CC=CC=C2)C3=NC(=NC4=CC=CC=C43)N5CCC(CC5)(C#N)C6=CC=CC=C6

Isomeric SMILES

COC1=CC=C(C=C1)N(CC2=CC=CC=C2)C3=NC(=NC4=CC=CC=C43)N5CCC(CC5)(C#N)C6=CC=CC=C6

InChI

InChI=1S/C34H31N5O/c1-40-29-18-16-28(17-19-29)39(24-26-10-4-2-5-11-26)32-30-14-8-9-15-31(30)36-33(37-32)38-22-20-34(25-35,21-23-38)27-12-6-3-7-13-27/h2-19H,20-24H2,1H3