N-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethyl-pyrrol-2-yl]-2-(4-methylpiperazin-1-yl)ethanamide

Systemtic Name: N-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethyl-pyrrol-2-yl]-2-(4-methylpiperazin-1-yl)ethanamide Openeye Name: N-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethyl-pyrrol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide CAS Name: N-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethyl-2-pyrrolyl]-2-(4-methyl-1-piperazinyl)acetamide IUPAC Name: N-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethylpyrrol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide Traditional Name: N-[3-cyano-1-(4-fluorobenzyl)-4,5-dimethyl-pyrrol-2-yl]-2-(4-methylpiperazino)acetamide Formula: C21H26FN5O MolecularWeight: 383.462443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26FN5O/c1-15-16(2)27(13-17-4-6-18(22)7-5-17)21(19(15)12-23)24-20(28)14-26-10-8-25(3)9-11-26/h4-7H,8-11,13-14H2,1-3H3,(H,24,28)