5-(1-adamantyl)-2-azanyl-3-methyl-5-[3-(3-methylphenyl)phenyl]imidazol-4-one

Systemtic Name: 5-(1-adamantyl)-2-azanyl-3-methyl-5-[3-(3-methylphenyl)phenyl]imidazol-4-one Openeye Name: 5-(1-adamantyl)-2-amino-3-methyl-5-[3-(m-tolyl)phenyl]imidazol-4-one CAS Name: 5-(1-adamantyl)-2-amino-3-methyl-5-[3-(3-methylphenyl)phenyl]-4-imidazolone IUPAC Name: 5-(1-adamantyl)-2-amino-3-methyl-5-[3-(3-methylphenyl)phenyl]imidazol-4-one Traditional Name: 5-(1-adamantyl)-2-amino-3-methyl-5-[3-(m-tolyl)phenyl]-2-imidazolin-4-one Formula: C27H31N3O MolecularWeight: 413.55454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=CC(=CC=C2)C3(C(=O)N(C(=N3)N)C)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CC=CC(=C1)C2=CC(=CC=C2)C3(C(=O)N(C(=N3)N)C)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H31N3O/c1-17-5-3-6-21(9-17)22-7-4-8-23(13-22)27(24(31)30(2)25(28)29-27)26-14-18-10-19(15-26)12-20(11-18)16-26/h3-9,13,18-20H,10-12,14-16H2,1-2H3,(H2,28,29)