N-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-3-(pyrrolidin-1-ylmethyl)benzamide

Systemtic Name: N-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-3-(pyrrolidin-1-ylmethyl)benzamide Openeye Name: N-[(1S)-1-(cyanomethylcarbamoyl)-3-methyl-butyl]-3-(pyrrolidin-1-ylmethyl)benzamide CAS Name: N-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-3-(1-pyrrolidinylmethyl)benzamide IUPAC Name: N-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-3-(pyrrolidin-1-ylmethyl)benzamide Traditional Name: N-[(1S)-1-(cyanomethylcarbamoyl)-3-methyl-butyl]-3-(pyrrolidinomethyl)benzamide Formula: C20H28N4O2 MolecularWeight: 356.46192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)NC(=O)C1=CC(=CC=C1)CN2CCCC2

Isomeric SMILES

CC(C)C[C@@H](C(=O)NCC#N)NC(=O)C1=CC(=CC=C1)CN2CCCC2

InChI

InChI=1S/C20H28N4O2/c1-15(2)12-18(20(26)22-9-8-21)23-19(25)17-7-5-6-16(13-17)14-24-10-3-4-11-24/h5-7,13,15,18H,3-4,9-12,14H2,1-2H3,(H,22,26)(H,23,25)/t18-/m0/s1