3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]propyl]-7,8-dimethoxy-1-methyl-5H-2,3-benzodiazepin-4-one

Systemtic Name: 3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]propyl]-7,8-dimethoxy-1-methyl-5H-2,3-benzodiazepin-4-one Openeye Name: 3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]propyl]-7,8-dimethoxy-1-methyl-5H-2,3-benzodiazepin-4-one CAS Name: 3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]-7,8-dimethoxy-1-methyl-5H-2,3-benzodiazepin-4-one IUPAC Name: 3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]-7,8-dimethoxy-1-methyl-5H-2,3-benzodiazepin-4-one Traditional Name: 3-[3-[homoveratryl(methyl)amino]propyl]-7,8-dimethoxy-1-methyl-5H-2,3-benzodiazepin-4-one Formula: C26H35N3O5 MolecularWeight: 469.5732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)CC2=CC(=C(C=C12)OC)OC)CCCN(C)CCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=NN(C(=O)CC2=CC(=C(C=C12)OC)OC)CCCN(C)CCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C26H35N3O5/c1-18-21-17-25(34-6)24(33-5)15-20(21)16-26(30)29(27-18)12-7-11-28(2)13-10-19-8-9-22(31-3)23(14-19)32-4/h8-9,14-15,17H,7,10-13,16H2,1-6H3