ethyl 5-azanyl-1-[4-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]phenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-[4-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-[4-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-[[3-(4-methyl-1-piperazinyl)propylamino]-oxomethyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-[4-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-[3-(4-methylpiperazino)propylcarbamoyl]phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C21H30N6O3 MolecularWeight: 414.5013

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCCCN3CCN(CC3)C)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCCCN3CCN(CC3)C)N

InChI

InChI=1S/C21H30N6O3/c1-3-30-21(29)18-15-24-27(19(18)22)17-7-5-16(6-8-17)20(28)23-9-4-10-26-13-11-25(2)12-14-26/h5-8,15H,3-4,9-14,22H2,1-2H3,(H,23,28)