N-cyclopropyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[[(2S)-2-ethylhexanoyl]amino]benzamide

Systemtic Name: N-cyclopropyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[[(2S)-2-ethylhexanoyl]amino]benzamide Openeye Name: N-cyclopropyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[[(2S)-2-ethylhexanoyl]amino]benzamide CAS Name: N-cyclopropyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[[(2S)-2-ethyl-1-oxohexyl]amino]benzamide IUPAC Name: N-cyclopropyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[[(2S)-2-ethylhexanoyl]amino]benzamide Traditional Name: N-cyclopropyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[[(2S)-2-ethylhexanoyl]amino]benzamide Formula: C27H35N3O2 MolecularWeight: 433.5857

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)NC1=CC(=C(C=C1)N2CCC3=CC=CC=C3C2)C(=O)NC4CC4

Isomeric SMILES

CCCC[C@H](CC)C(=O)NC1=CC(=C(C=C1)N2CCC3=CC=CC=C3C2)C(=O)NC4CC4

InChI

InChI=1S/C27H35N3O2/c1-3-5-8-19(4-2)26(31)29-23-13-14-25(24(17-23)27(32)28-22-11-12-22)30-16-15-20-9-6-7-10-21(20)18-30/h6-7,9-10,13-14,17,19,22H,3-5,8,11-12,15-16,18H2,1-2H3,(H,28,32)(H,29,31)/t19-/m0/s1