methyl 5-azanyl-1-[4-[3-(2-methylpiperidin-1-yl)propylcarbamoyl]phenyl]pyrazole-4-carboxylate

Systemtic Name: methyl 5-azanyl-1-[4-[3-(2-methylpiperidin-1-yl)propylcarbamoyl]phenyl]pyrazole-4-carboxylate Openeye Name: methyl 5-amino-1-[4-[3-(2-methyl-1-piperidyl)propylcarbamoyl]phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-[[3-(2-methyl-1-piperidinyl)propylamino]-oxomethyl]phenyl]-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-amino-1-[4-[3-(2-methylpiperidin-1-yl)propylcarbamoyl]phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-[3-(2-methylpiperidino)propylcarbamoyl]phenyl]pyrazole-4-carboxylic acid methyl ester Formula: C21H29N5O3 MolecularWeight: 399.48666

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1CCCNC(=O)C2=CC=C(C=C2)N3C(=C(C=N3)C(=O)OC)N

Isomeric SMILES

CC1CCCCN1CCCNC(=O)C2=CC=C(C=C2)N3C(=C(C=N3)C(=O)OC)N

InChI

InChI=1S/C21H29N5O3/c1-15-6-3-4-12-25(15)13-5-11-23-20(27)16-7-9-17(10-8-16)26-19(22)18(14-24-26)21(28)29-2/h7-10,14-15H,3-6,11-13,22H2,1-2H3,(H,23,27)