N-(3-methoxyphenyl)-4-[2-(4-methylphenyl)quinazolin-4-yl]piperazine-1-carboxamide

Systemtic Name: N-(3-methoxyphenyl)-4-[2-(4-methylphenyl)quinazolin-4-yl]piperazine-1-carboxamide Openeye Name: N-(3-methoxyphenyl)-4-[2-(p-tolyl)quinazolin-4-yl]piperazine-1-carboxamide CAS Name: N-(3-methoxyphenyl)-4-[2-(4-methylphenyl)-4-quinazolinyl]-1-piperazinecarboxamide IUPAC Name: N-(3-methoxyphenyl)-4-[2-(4-methylphenyl)quinazolin-4-yl]piperazine-1-carboxamide Traditional Name: N-(3-methoxyphenyl)-4-[2-(p-tolyl)quinazolin-4-yl]piperazine-1-carboxamide Formula: C27H27N5O2 MolecularWeight: 453.53558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)N4CCN(CC4)C(=O)NC5=CC(=CC=C5)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)N4CCN(CC4)C(=O)NC5=CC(=CC=C5)OC

InChI

InChI=1S/C27H27N5O2/c1-19-10-12-20(13-11-19)25-29-24-9-4-3-8-23(24)26(30-25)31-14-16-32(17-15-31)27(33)28-21-6-5-7-22(18-21)34-2/h3-13,18H,14-17H2,1-2H3,(H,28,33)