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

Systemtic Name: 3-[5-azanyl-4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]carbonyl-pyrazol-1-yl]-N-cyclopropyl-4-methyl-benzamide Openeye Name: 3-[5-amino-4-[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]pyrazol-1-yl]-N-cyclopropyl-4-methyl-benzamide CAS Name: 3-[5-amino-4-[[3-[(4-methyl-1-piperazinyl)methyl]phenyl]-oxomethyl]-1-pyrazolyl]-N-cyclopropyl-4-methylbenzamide IUPAC Name: 3-[5-amino-4-[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide Traditional Name: 3-[5-amino-4-[3-[(4-methylpiperazino)methyl]benzoyl]pyrazol-1-yl]-N-cyclopropyl-4-methyl-benzamide Formula: C27H32N6O2 MolecularWeight: 472.58198

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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)CN5CCN(CC5)C)N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C(=C(C=N3)C(=O)C4=CC(=CC=C4)CN5CCN(CC5)C)N

InChI

InChI=1S/C27H32N6O2/c1-18-6-7-21(27(35)30-22-8-9-22)15-24(18)33-26(28)23(16-29-33)25(34)20-5-3-4-19(14-20)17-32-12-10-31(2)11-13-32/h3-7,14-16,22H,8-13,17,28H2,1-2H3,(H,30,35)