N-cycloheptyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-1-oxidanylidene-4H-isoquinoline-3-carboxamide

Systemtic Name: N-cycloheptyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-1-oxidanylidene-4H-isoquinoline-3-carboxamide Openeye Name: N-cycloheptyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide CAS Name: N-cycloheptyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide IUPAC Name: N-cycloheptyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide Traditional Name: N-cycloheptyl-2-homoveratryl-1-keto-3-methyl-4H-isoquinoline-3-carboxamide Formula: C28H36N2O4 MolecularWeight: 464.59644

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=O)N1CCC3=CC(=C(C=C3)OC)OC)C(=O)NC4CCCCCC4

Isomeric SMILES

CC1(CC2=CC=CC=C2C(=O)N1CCC3=CC(=C(C=C3)OC)OC)C(=O)NC4CCCCCC4

InChI

InChI=1S/C28H36N2O4/c1-28(27(32)29-22-11-6-4-5-7-12-22)19-21-10-8-9-13-23(21)26(31)30(28)17-16-20-14-15-24(33-2)25(18-20)34-3/h8-10,13-15,18,22H,4-7,11-12,16-17,19H2,1-3H3,(H,29,32)