N-(cyanomethyl)-4-methyl-2-[3-(7-nitro-1H-indol-5-yl)phenyl]pentanamide

Systemtic Name: N-(cyanomethyl)-4-methyl-2-[3-(7-nitro-1H-indol-5-yl)phenyl]pentanamide Openeye Name: N-(cyanomethyl)-4-methyl-2-[3-(7-nitro-1H-indol-5-yl)phenyl]pentanamide CAS Name: N-(cyanomethyl)-4-methyl-2-[3-(7-nitro-1H-indol-5-yl)phenyl]pentanamide IUPAC Name: N-(cyanomethyl)-4-methyl-2-[3-(7-nitro-1H-indol-5-yl)phenyl]pentanamide Traditional Name: N-(cyanomethyl)-4-methyl-2-[3-(7-nitro-1H-indol-5-yl)phenyl]valeramide Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC(=C1)C2=CC(=C3C(=C2)C=CN3)[N+](=O)[O-])C(=O)NCC#N

Isomeric SMILES

CC(C)CC(C1=CC=CC(=C1)C2=CC(=C3C(=C2)C=CN3)[N+](=O)[O-])C(=O)NCC#N

InChI

InChI=1S/C22H22N4O3/c1-14(2)10-19(22(27)25-9-7-23)16-5-3-4-15(11-16)18-12-17-6-8-24-21(17)20(13-18)26(28)29/h3-6,8,11-14,19,24H,9-10H2,1-2H3,(H,25,27)