N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-1-pyrazin-2-yl-piperidine-3-carboxamide

Systemtic Name: N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-1-pyrazin-2-yl-piperidine-3-carboxamide Openeye Name: N-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-1-pyrazin-2-yl-piperidine-3-carboxamide CAS Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-(2-pyrazinyl)-3-piperidinecarboxamide IUPAC Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide Traditional Name: N-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-1-pyrazin-2-yl-nipecotamide Formula: C19H22BrN5O2 MolecularWeight: 432.31428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)C2CCCN(C2)C3=NC=CN=C3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)C2CCCN(C2)C3=NC=CN=C3

InChI

InChI=1S/C19H22BrN5O2/c1-13-9-15(20)4-5-16(13)24-18(26)11-23-19(27)14-3-2-8-25(12-14)17-10-21-6-7-22-17/h4-7,9-10,14H,2-3,8,11-12H2,1H3,(H,23,27)(H,24,26)