hexyl N-[1-(cyanomethylamino)-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: hexyl N-[1-(cyanomethylamino)-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: hexyl N-[2-(cyanomethylamino)-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamate CAS Name: N-[1-(cyanomethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamic acid hexyl ester IUPAC Name: hexyl N-[1-(cyanomethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate Traditional Name: N-[2-(cyanomethylamino)-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]carbamic acid hexyl ester Formula: C20H26N4O3 MolecularWeight: 370.44544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NCC#N

Isomeric SMILES

CCCCCCOC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NCC#N

InChI

InChI=1S/C20H26N4O3/c1-2-3-4-7-12-27-20(26)24-18(19(25)22-11-10-21)13-15-14-23-17-9-6-5-8-16(15)17/h5-6,8-9,14,18,23H,2-4,7,11-13H2,1H3,(H,22,25)(H,24,26)