5-cyclohexyl-1-[4-(4,5-dihydro-1H-imidazol-2-ylmethyl)phenyl]-3-(1-methoxypropan-2-yl)-8-methyl-1,3,4-benzotriazepin-2-one

Systemtic Name: 5-cyclohexyl-1-[4-(4,5-dihydro-1H-imidazol-2-ylmethyl)phenyl]-3-(1-methoxypropan-2-yl)-8-methyl-1,3,4-benzotriazepin-2-one Openeye Name: 5-cyclohexyl-1-[4-(4,5-dihydro-1H-imidazol-2-ylmethyl)phenyl]-3-(2-methoxy-1-methyl-ethyl)-8-methyl-1,3,4-benzotriazepin-2-one CAS Name: 5-cyclohexyl-1-[4-(4,5-dihydro-1H-imidazol-2-ylmethyl)phenyl]-3-(1-methoxypropan-2-yl)-8-methyl-1,3,4-benzotriazepin-2-one IUPAC Name: 5-cyclohexyl-1-[4-(4,5-dihydro-1H-imidazol-2-ylmethyl)phenyl]-3-(1-methoxypropan-2-yl)-8-methyl-1,3,4-benzotriazepin-2-one Traditional Name: 5-cyclohexyl-1-[4-(2-imidazolin-2-ylmethyl)phenyl]-3-(2-methoxy-1-methyl-ethyl)-8-methyl-1,3,4-benzotriazepin-2-one Formula: C29H37N5O2 MolecularWeight: 487.63638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=NN(C(=O)N2C3=CC=C(C=C3)CC4=NCCN4)C(C)COC)C5CCCCC5

Isomeric SMILES

CC1=CC2=C(C=C1)C(=NN(C(=O)N2C3=CC=C(C=C3)CC4=NCCN4)C(C)COC)C5CCCCC5

InChI

InChI=1S/C29H37N5O2/c1-20-9-14-25-26(17-20)33(24-12-10-22(11-13-24)18-27-30-15-16-31-27)29(35)34(21(2)19-36-3)32-28(25)23-7-5-4-6-8-23/h9-14,17,21,23H,4-8,15-16,18-19H2,1-3H3,(H,30,31)