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

Systemtic Name: 3-[[3-(aminomethyl)cyclohexyl]methyl]-6-methoxy-2-phenethyl-quinazolin-4-one Openeye Name: 3-[[3-(aminomethyl)cyclohexyl]methyl]-6-methoxy-2-phenethyl-quinazolin-4-one CAS Name: 3-[[3-(aminomethyl)cyclohexyl]methyl]-6-methoxy-2-phenethyl-4-quinazolinone IUPAC Name: 3-[[3-(aminomethyl)cyclohexyl]methyl]-6-methoxy-2-phenethylquinazolin-4-one Traditional Name: 3-[[3-(aminomethyl)cyclohexyl]methyl]-6-methoxy-2-phenethyl-quinazolin-4-one Formula: C25H31N3O2 MolecularWeight: 405.53254

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(N(C2=O)CC3CCCC(C3)CN)CCC4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(N(C2=O)CC3CCCC(C3)CN)CCC4=CC=CC=C4

InChI

InChI=1S/C25H31N3O2/c1-30-21-11-12-23-22(15-21)25(29)28(17-20-9-5-8-19(14-20)16-26)24(27-23)13-10-18-6-3-2-4-7-18/h2-4,6-7,11-12,15,19-20H,5,8-10,13-14,16-17,26H2,1H3