4-tert-butyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridin-3-yl-ethyl]benzamide

Systemtic Name: 4-tert-butyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridin-3-yl-ethyl]benzamide Openeye Name: 4-tert-butyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-pyridyl)ethyl]benzamide CAS Name: 4-tert-butyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-pyridinyl)ethyl]benzamide IUPAC Name: 4-tert-butyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridin-3-ylethyl]benzamide Traditional Name: 4-tert-butyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-pyridyl)ethyl]benzamide Formula: C27H31N3O MolecularWeight: 413.55454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NCC(C2=CN=CC=C2)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NCC(C2=CN=CC=C2)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C27H31N3O/c1-27(2,3)24-12-10-21(11-13-24)26(31)29-18-25(22-9-6-15-28-17-22)30-16-14-20-7-4-5-8-23(20)19-30/h4-13,15,17,25H,14,16,18-19H2,1-3H3,(H,29,31)