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

Systemtic Name: 3-[[3-(aminomethyl)cyclohexyl]methyl]-6-methyl-2-phenethyl-quinazolin-4-one Openeye Name: 3-[[3-(aminomethyl)cyclohexyl]methyl]-6-methyl-2-phenethyl-quinazolin-4-one CAS Name: 3-[[3-(aminomethyl)cyclohexyl]methyl]-6-methyl-2-phenethyl-4-quinazolinone IUPAC Name: 3-[[3-(aminomethyl)cyclohexyl]methyl]-6-methyl-2-phenethylquinazolin-4-one Traditional Name: 3-[[3-(aminomethyl)cyclohexyl]methyl]-6-methyl-2-phenethyl-quinazolin-4-one Formula: C25H31N3O MolecularWeight: 389.53314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N(C2=O)CC3CCCC(C3)CN)CCC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N(C2=O)CC3CCCC(C3)CN)CCC4=CC=CC=C4

InChI

InChI=1S/C25H31N3O/c1-18-10-12-23-22(14-18)25(29)28(17-21-9-5-8-20(15-21)16-26)24(27-23)13-11-19-6-3-2-4-7-19/h2-4,6-7,10,12,14,20-21H,5,8-9,11,13,15-17,26H2,1H3