3-[5-azanyl-4-[3-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethoxy]phenyl]carbonyl-pyrazol-1-yl]-N-cyclopropyl-4-methyl-benzamide

Systemtic Name: 3-[5-azanyl-4-[3-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethoxy]phenyl]carbonyl-pyrazol-1-yl]-N-cyclopropyl-4-methyl-benzamide Openeye Name: 3-[5-amino-4-[3-[2-(4-methylpiperazin-1-yl)-2-oxo-ethoxy]benzoyl]pyrazol-1-yl]-N-cyclopropyl-4-methyl-benzamide CAS Name: 3-[5-amino-4-[[3-[2-(4-methyl-1-piperazinyl)-2-oxoethoxy]phenyl]-oxomethyl]-1-pyrazolyl]-N-cyclopropyl-4-methylbenzamide IUPAC Name: 3-[5-amino-4-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]benzoyl]pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide Traditional Name: 3-[5-amino-4-[3-[2-keto-2-(4-methylpiperazino)ethoxy]benzoyl]pyrazol-1-yl]-N-cyclopropyl-4-methyl-benzamide Formula: C28H32N6O4 MolecularWeight: 516.59148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C(=C(C=N3)C(=O)C4=CC(=CC=C4)OCC(=O)N5CCN(CC5)C)N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C(=C(C=N3)C(=O)C4=CC(=CC=C4)OCC(=O)N5CCN(CC5)C)N

InChI

InChI=1S/C28H32N6O4/c1-18-6-7-20(28(37)31-21-8-9-21)15-24(18)34-27(29)23(16-30-34)26(36)19-4-3-5-22(14-19)38-17-25(35)33-12-10-32(2)11-13-33/h3-7,14-16,21H,8-13,17,29H2,1-2H3,(H,31,37)