N-[(7,8-dimethoxy-4,4-dimethyl-3,5-dihydro-1H-2-benzoxepin-1-yl)methyl]adamantan-1-amine

Systemtic Name: N-[(7,8-dimethoxy-4,4-dimethyl-3,5-dihydro-1H-2-benzoxepin-1-yl)methyl]adamantan-1-amine Openeye Name: N-[(7,8-dimethoxy-4,4-dimethyl-3,5-dihydro-1H-2-benzoxepin-1-yl)methyl]adamantan-1-amine CAS Name: N-[(7,8-dimethoxy-4,4-dimethyl-3,5-dihydro-1H-2-benzoxepin-1-yl)methyl]-1-adamantanamine IUPAC Name: N-[(7,8-dimethoxy-4,4-dimethyl-3,5-dihydro-1H-2-benzoxepin-1-yl)methyl]adamantan-1-amine Traditional Name: 1-adamantyl-[(7,8-dimethoxy-4,4-dimethyl-3,5-dihydro-1H-2-benzoxepin-1-yl)methyl]amine Formula: C25H37NO3 MolecularWeight: 399.56618

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC(=C(C=C2C(OC1)CNC34CC5CC(C3)CC(C5)C4)OC)OC)C

Isomeric SMILES

CC1(CC2=CC(=C(C=C2C(OC1)CNC34CC5CC(C3)CC(C5)C4)OC)OC)C

InChI

InChI=1S/C25H37NO3/c1-24(2)13-19-8-21(27-3)22(28-4)9-20(19)23(29-15-24)14-26-25-10-16-5-17(11-25)7-18(6-16)12-25/h8-9,16-18,23,26H,5-7,10-15H2,1-4H3