methyl 5-azanyl-1-[4-[2-(azepan-1-yl)ethylcarbamoyl]phenyl]pyrazole-4-carboxylate

Systemtic Name: methyl 5-azanyl-1-[4-[2-(azepan-1-yl)ethylcarbamoyl]phenyl]pyrazole-4-carboxylate Openeye Name: methyl 5-amino-1-[4-[2-(azepan-1-yl)ethylcarbamoyl]phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-[[2-(1-azepanyl)ethylamino]-oxomethyl]phenyl]-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-amino-1-[4-[2-(azepan-1-yl)ethylcarbamoyl]phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-[2-(azepan-1-yl)ethylcarbamoyl]phenyl]pyrazole-4-carboxylic acid methyl ester Formula: C20H27N5O3 MolecularWeight: 385.46008

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCCN3CCCCCC3)N

Isomeric SMILES

COC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCCN3CCCCCC3)N

InChI

InChI=1S/C20H27N5O3/c1-28-20(27)17-14-23-25(18(17)21)16-8-6-15(7-9-16)19(26)22-10-13-24-11-4-2-3-5-12-24/h6-9,14H,2-5,10-13,21H2,1H3,(H,22,26)