3-[[3-(aminomethyl)cyclohexyl]methyl]-6-methoxy-2-(4-phenylphenyl)quinazolin-4-one

Systemtic Name: 3-[[3-(aminomethyl)cyclohexyl]methyl]-6-methoxy-2-(4-phenylphenyl)quinazolin-4-one Openeye Name: 3-[[3-(aminomethyl)cyclohexyl]methyl]-6-methoxy-2-(4-phenylphenyl)quinazolin-4-one CAS Name: 3-[[3-(aminomethyl)cyclohexyl]methyl]-6-methoxy-2-(4-phenylphenyl)-4-quinazolinone IUPAC Name: 3-[[3-(aminomethyl)cyclohexyl]methyl]-6-methoxy-2-(4-phenylphenyl)quinazolin-4-one Traditional Name: 3-[[3-(aminomethyl)cyclohexyl]methyl]-6-methoxy-2-(4-phenylphenyl)quinazolin-4-one Formula: C29H31N3O2 MolecularWeight: 453.57534

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(N(C2=O)CC3CCCC(C3)CN)C4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(N(C2=O)CC3CCCC(C3)CN)C4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H31N3O2/c1-34-25-14-15-27-26(17-25)29(33)32(19-21-7-5-6-20(16-21)18-30)28(31-27)24-12-10-23(11-13-24)22-8-3-2-4-9-22/h2-4,8-15,17,20-21H,5-7,16,18-19,30H2,1H3