3-[3-[1-adamantylmethyl(methyl)amino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one

Systemtic Name: 3-[3-[1-adamantylmethyl(methyl)amino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one Openeye Name: 3-[3-[1-adamantylmethyl(methyl)amino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one CAS Name: 3-[3-[1-adamantylmethyl(methyl)amino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one IUPAC Name: 3-[3-[1-adamantylmethyl(methyl)amino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one Traditional Name: 3-[3-[1-adamantylmethyl(methyl)amino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one Formula: C27H40N2O3 MolecularWeight: 440.6181

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCN1CCC2=CC(=C(C=C2CC1=O)OC)OC)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CN(CCCN1CCC2=CC(=C(C=C2CC1=O)OC)OC)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H40N2O3/c1-28(18-27-15-19-9-20(16-27)11-21(10-19)17-27)6-4-7-29-8-5-22-12-24(31-2)25(32-3)13-23(22)14-26(29)30/h12-13,19-21H,4-11,14-18H2,1-3H3