3-[[3-imidazol-1-ylpropyl-[(2-methylphenyl)methyl]amino]methyl]-6-methyl-chromen-4-one

Systemtic Name: 3-[[3-imidazol-1-ylpropyl-[(2-methylphenyl)methyl]amino]methyl]-6-methyl-chromen-4-one Openeye Name: 3-[[3-imidazol-1-ylpropyl(o-tolylmethyl)amino]methyl]-6-methyl-chromen-4-one CAS Name: 3-[[3-(1-imidazolyl)propyl-[(2-methylphenyl)methyl]amino]methyl]-6-methyl-1-benzopyran-4-one IUPAC Name: 3-[[3-imidazol-1-ylpropyl-[(2-methylphenyl)methyl]amino]methyl]-6-methylchromen-4-one Traditional Name: 3-[[3-imidazol-1-ylpropyl-(2-methylbenzyl)amino]methyl]-6-methyl-chromone Formula: C25H27N3O2 MolecularWeight: 401.50078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC=C(C2=O)CN(CCCN3C=CN=C3)CC4=CC=CC=C4C

Isomeric SMILES

CC1=CC2=C(C=C1)OC=C(C2=O)CN(CCCN3C=CN=C3)CC4=CC=CC=C4C

InChI

InChI=1S/C25H27N3O2/c1-19-8-9-24-23(14-19)25(29)22(17-30-24)16-28(12-5-11-27-13-10-26-18-27)15-21-7-4-3-6-20(21)2/h3-4,6-10,13-14,17-18H,5,11-12,15-16H2,1-2H3