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

Systemtic Name: 3-[[3-(aminomethyl)cyclohexyl]methyl]-2-(4-tert-butylphenyl)-7-chloranyl-quinazolin-4-one Openeye Name: 3-[[3-(aminomethyl)cyclohexyl]methyl]-2-(4-tert-butylphenyl)-7-chloro-quinazolin-4-one CAS Name: 3-[[3-(aminomethyl)cyclohexyl]methyl]-2-(4-tert-butylphenyl)-7-chloro-4-quinazolinone IUPAC Name: 3-[[3-(aminomethyl)cyclohexyl]methyl]-2-(4-tert-butylphenyl)-7-chloroquinazolin-4-one Traditional Name: 3-[[3-(aminomethyl)cyclohexyl]methyl]-2-(4-tert-butylphenyl)-7-chloro-quinazolin-4-one Formula: C26H32ClN3O MolecularWeight: 438.00478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4CCCC(C4)CN

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4CCCC(C4)CN

InChI

InChI=1S/C26H32ClN3O/c1-26(2,3)20-9-7-19(8-10-20)24-29-23-14-21(27)11-12-22(23)25(31)30(24)16-18-6-4-5-17(13-18)15-28/h7-12,14,17-18H,4-6,13,15-16,28H2,1-3H3