(3R,4S)-N-cycloheptyl-3-(4-methoxyphenyl)-2-(2-methylpropyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxamide

Systemtic Name: (3R,4S)-N-cycloheptyl-3-(4-methoxyphenyl)-2-(2-methylpropyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxamide Openeye Name: (3R,4S)-N-cycloheptyl-2-isobutyl-3-(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide CAS Name: (3R,4S)-N-cycloheptyl-3-(4-methoxyphenyl)-2-(2-methylpropyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide IUPAC Name: (3R,4S)-N-cycloheptyl-3-(4-methoxyphenyl)-2-(2-methylpropyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide Traditional Name: (3R,4S)-N-cycloheptyl-2-isobutyl-1-keto-3-(4-methoxyphenyl)-3,4-dihydroisoquinoline-4-carboxamide Formula: C28H36N2O3 MolecularWeight: 448.59704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(C(C2=CC=CC=C2C1=O)C(=O)NC3CCCCCC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)CN1[C@H]([C@H](C2=CC=CC=C2C1=O)C(=O)NC3CCCCCC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C28H36N2O3/c1-19(2)18-30-26(20-14-16-22(33-3)17-15-20)25(23-12-8-9-13-24(23)28(30)32)27(31)29-21-10-6-4-5-7-11-21/h8-9,12-17,19,21,25-26H,4-7,10-11,18H2,1-3H3,(H,29,31)/t25-,26-/m0/s1