N-[3-cyano-4,5-dimethyl-1-(phenylmethyl)pyrrol-2-yl]-2-[4-(3-methylbutanoyl)piperazin-1-yl]ethanamide

Systemtic Name: N-[3-cyano-4,5-dimethyl-1-(phenylmethyl)pyrrol-2-yl]-2-[4-(3-methylbutanoyl)piperazin-1-yl]ethanamide Openeye Name: N-(1-benzyl-3-cyano-4,5-dimethyl-pyrrol-2-yl)-2-[4-(3-methylbutanoyl)piperazin-1-yl]acetamide CAS Name: N-[3-cyano-4,5-dimethyl-1-(phenylmethyl)-2-pyrrolyl]-2-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]acetamide IUPAC Name: N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)-2-[4-(3-methylbutanoyl)piperazin-1-yl]acetamide Traditional Name: N-(1-benzyl-3-cyano-4,5-dimethyl-pyrrol-2-yl)-2-(4-isovalerylpiperazino)acetamide Formula: C25H33N5O2 MolecularWeight: 435.56182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CN2CCN(CC2)C(=O)CC(C)C)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CN2CCN(CC2)C(=O)CC(C)C)CC3=CC=CC=C3)C

InChI

InChI=1S/C25H33N5O2/c1-18(2)14-24(32)29-12-10-28(11-13-29)17-23(31)27-25-22(15-26)19(3)20(4)30(25)16-21-8-6-5-7-9-21/h5-9,18H,10-14,16-17H2,1-4H3,(H,27,31)