propan-2-yl N-[4-[2-(azepan-1-yl)ethoxy]-3-(4-bromanyl-2-methyl-pyrazol-3-yl)phenyl]carbamate

Systemtic Name: propan-2-yl N-[4-[2-(azepan-1-yl)ethoxy]-3-(4-bromanyl-2-methyl-pyrazol-3-yl)phenyl]carbamate Openeye Name: isopropyl N-[4-[2-(azepan-1-yl)ethoxy]-3-(4-bromo-2-methyl-pyrazol-3-yl)phenyl]carbamate CAS Name: N-[4-[2-(1-azepanyl)ethoxy]-3-(4-bromo-2-methyl-3-pyrazolyl)phenyl]carbamic acid propan-2-yl ester IUPAC Name: propan-2-yl N-[4-[2-(azepan-1-yl)ethoxy]-3-(4-bromo-2-methylpyrazol-3-yl)phenyl]carbamate Traditional Name: N-[4-[2-(azepan-1-yl)ethoxy]-3-(4-bromo-2-methyl-pyrazol-3-yl)phenyl]carbamic acid isopropyl ester Formula: C22H31BrN4O3 MolecularWeight: 479.41054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)NC1=CC(=C(C=C1)OCCN2CCCCCC2)C3=C(C=NN3C)Br

Isomeric SMILES

CC(C)OC(=O)NC1=CC(=C(C=C1)OCCN2CCCCCC2)C3=C(C=NN3C)Br

InChI

InChI=1S/C22H31BrN4O3/c1-16(2)30-22(28)25-17-8-9-20(18(14-17)21-19(23)15-24-26(21)3)29-13-12-27-10-6-4-5-7-11-27/h8-9,14-16H,4-7,10-13H2,1-3H3,(H,25,28)