3-[3-(aminomethyl)-2-tert-butyl-4-(cyclohexylmethyl)phenyl]quinazolin-4-one

Systemtic Name: 3-[3-(aminomethyl)-2-tert-butyl-4-(cyclohexylmethyl)phenyl]quinazolin-4-one Openeye Name: 3-[3-(aminomethyl)-2-tert-butyl-4-(cyclohexylmethyl)phenyl]quinazolin-4-one CAS Name: 3-[3-(aminomethyl)-2-tert-butyl-4-(cyclohexylmethyl)phenyl]-4-quinazolinone IUPAC Name: 3-[3-(aminomethyl)-2-tert-butyl-4-(cyclohexylmethyl)phenyl]quinazolin-4-one Traditional Name: 3-[3-(aminomethyl)-2-tert-butyl-4-(cyclohexylmethyl)phenyl]quinazolin-4-one Formula: C26H33N3O MolecularWeight: 403.55972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1CN)CC2CCCCC2)N3C=NC4=CC=CC=C4C3=O

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1CN)CC2CCCCC2)N3C=NC4=CC=CC=C4C3=O

InChI

InChI=1S/C26H33N3O/c1-26(2,3)24-21(16-27)19(15-18-9-5-4-6-10-18)13-14-23(24)29-17-28-22-12-8-7-11-20(22)25(29)30/h7-8,11-14,17-18H,4-6,9-10,15-16,27H2,1-3H3