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

Systemtic Name: 3-[[3-(aminomethyl)cyclohexyl]methyl]-6-methyl-2-(4-phenylphenyl)quinazolin-4-one Openeye Name: 3-[[3-(aminomethyl)cyclohexyl]methyl]-6-methyl-2-(4-phenylphenyl)quinazolin-4-one CAS Name: 3-[[3-(aminomethyl)cyclohexyl]methyl]-6-methyl-2-(4-phenylphenyl)-4-quinazolinone IUPAC Name: 3-[[3-(aminomethyl)cyclohexyl]methyl]-6-methyl-2-(4-phenylphenyl)quinazolin-4-one Traditional Name: 3-[[3-(aminomethyl)cyclohexyl]methyl]-6-methyl-2-(4-phenylphenyl)quinazolin-4-one Formula: C29H31N3O MolecularWeight: 437.57594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N(C2=O)CC3CCCC(C3)CN)C4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N(C2=O)CC3CCCC(C3)CN)C4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H31N3O/c1-20-10-15-27-26(16-20)29(33)32(19-22-7-5-6-21(17-22)18-30)28(31-27)25-13-11-24(12-14-25)23-8-3-2-4-9-23/h2-4,8-16,21-22H,5-7,17-19,30H2,1H3