4-[3-[1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]phenyl]-N-[(1-methylpyrrol-3-yl)methyl]benzamide

Systemtic Name: 4-[3-[1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]phenyl]-N-[(1-methylpyrrol-3-yl)methyl]benzamide Openeye Name: 4-[3-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]phenyl]-N-[(1-methylpyrrol-3-yl)methyl]benzamide CAS Name: 4-[3-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]phenyl]-N-[(1-methyl-3-pyrrolyl)methyl]benzamide IUPAC Name: 4-[3-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]phenyl]-N-[(1-methylpyrrol-3-yl)methyl]benzamide Traditional Name: 4-[3-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]phenyl]-N-[(1-methylpyrrol-3-yl)methyl]benzamide Formula: C27H30N4O2 MolecularWeight: 442.5527

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC(=C1)C2=CC=C(C=C2)C(=O)NCC3=CN(C=C3)C)C(=O)NCC#N

Isomeric SMILES

CC(C)CC(C1=CC=CC(=C1)C2=CC=C(C=C2)C(=O)NCC3=CN(C=C3)C)C(=O)NCC#N

InChI

InChI=1S/C27H30N4O2/c1-19(2)15-25(27(33)29-13-12-28)24-6-4-5-23(16-24)21-7-9-22(10-8-21)26(32)30-17-20-11-14-31(3)18-20/h4-11,14,16,18-19,25H,13,15,17H2,1-3H3,(H,29,33)(H,30,32)