N-[4-bromanyl-1-[(3-methylphenyl)methyl]pyrazol-3-yl]-4-methoxy-butanamide

Systemtic Name: N-[4-bromanyl-1-[(3-methylphenyl)methyl]pyrazol-3-yl]-4-methoxy-butanamide Openeye Name: N-[4-bromo-1-(m-tolylmethyl)pyrazol-3-yl]-4-methoxy-butanamide CAS Name: N-[4-bromo-1-[(3-methylphenyl)methyl]-3-pyrazolyl]-4-methoxybutanamide IUPAC Name: N-[4-bromo-1-[(3-methylphenyl)methyl]pyrazol-3-yl]-4-methoxybutanamide Traditional Name: N-[4-bromo-1-(3-methylbenzyl)pyrazol-3-yl]-4-methoxy-butyramide Formula: C16H20BrN3O2 MolecularWeight: 366.2529

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C=C(C(=N2)NC(=O)CCCOC)Br

Isomeric SMILES

CC1=CC(=CC=C1)CN2C=C(C(=N2)NC(=O)CCCOC)Br

InChI

InChI=1S/C16H20BrN3O2/c1-12-5-3-6-13(9-12)10-20-11-14(17)16(19-20)18-15(21)7-4-8-22-2/h3,5-6,9,11H,4,7-8,10H2,1-2H3,(H,18,19,21)