4-[6-[(3-chlorophenyl)methyl-ethanoyl-amino]pyrazin-2-yl]piperazine-1-carboxylic acid

Systemtic Name: 4-[6-[(3-chlorophenyl)methyl-ethanoyl-amino]pyrazin-2-yl]piperazine-1-carboxylic acid Openeye Name: 4-[6-[acetyl-[(3-chlorophenyl)methyl]amino]pyrazin-2-yl]piperazine-1-carboxylic acid CAS Name: 4-[6-[acetyl-[(3-chlorophenyl)methyl]amino]-2-pyrazinyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[6-[acetyl-[(3-chlorophenyl)methyl]amino]pyrazin-2-yl]piperazine-1-carboxylic acid Traditional Name: 4-[6-[acetyl-(3-chlorobenzyl)amino]pyrazin-2-yl]piperazine-1-carboxylic acid Formula: C18H20ClN5O3 MolecularWeight: 389.8361

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(CC1=CC(=CC=C1)Cl)C2=NC(=CN=C2)N3CCN(CC3)C(=O)O

Isomeric SMILES

CC(=O)N(CC1=CC(=CC=C1)Cl)C2=NC(=CN=C2)N3CCN(CC3)C(=O)O

InChI

InChI=1S/C18H20ClN5O3/c1-13(25)24(12-14-3-2-4-15(19)9-14)17-11-20-10-16(21-17)22-5-7-23(8-6-22)18(26)27/h2-4,9-11H,5-8,12H2,1H3,(H,26,27)