3-[[3-(aminomethyl)cyclohexyl]methyl]-7-chloranyl-2-(4-phenylphenyl)quinazolin-4-one

Systemtic Name: 3-[[3-(aminomethyl)cyclohexyl]methyl]-7-chloranyl-2-(4-phenylphenyl)quinazolin-4-one Openeye Name: 3-[[3-(aminomethyl)cyclohexyl]methyl]-7-chloro-2-(4-phenylphenyl)quinazolin-4-one CAS Name: 3-[[3-(aminomethyl)cyclohexyl]methyl]-7-chloro-2-(4-phenylphenyl)-4-quinazolinone IUPAC Name: 3-[[3-(aminomethyl)cyclohexyl]methyl]-7-chloro-2-(4-phenylphenyl)quinazolin-4-one Traditional Name: 3-[[3-(aminomethyl)cyclohexyl]methyl]-7-chloro-2-(4-phenylphenyl)quinazolin-4-one Formula: C28H28ClN3O MolecularWeight: 457.99442

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(C1)CN2C(=NC3=C(C2=O)C=CC(=C3)Cl)C4=CC=C(C=C4)C5=CC=CC=C5)CN

Isomeric SMILES

C1CC(CC(C1)CN2C(=NC3=C(C2=O)C=CC(=C3)Cl)C4=CC=C(C=C4)C5=CC=CC=C5)CN

InChI

InChI=1S/C28H28ClN3O/c29-24-13-14-25-26(16-24)31-27(23-11-9-22(10-12-23)21-7-2-1-3-8-21)32(28(25)33)18-20-6-4-5-19(15-20)17-30/h1-3,7-14,16,19-20H,4-6,15,17-18,30H2