N-[2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]pyridine-4-carboxamide

Systemtic Name: N-[2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]pyridine-4-carboxamide Openeye Name: N-[2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-5-(piperazine-1-carbonyl)phenyl]pyridine-4-carboxamide CAS Name: N-[2-[4-(3,3-dimethyl-1-oxobutyl)-1-piperazinyl]-5-[oxo(1-piperazinyl)methyl]phenyl]-4-pyridinecarboxamide IUPAC Name: N-[2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-5-(piperazine-1-carbonyl)phenyl]pyridine-4-carboxamide Traditional Name: N-[2-[4-(3,3-dimethylbutanoyl)piperazino]-5-(piperazine-1-carbonyl)phenyl]isonicotinamide Formula: C27H36N6O3 MolecularWeight: 492.61314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCNCC3)NC(=O)C4=CC=NC=C4

Isomeric SMILES

CC(C)(C)CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCNCC3)NC(=O)C4=CC=NC=C4

InChI

InChI=1S/C27H36N6O3/c1-27(2,3)19-24(34)32-16-14-31(15-17-32)23-5-4-21(26(36)33-12-10-29-11-13-33)18-22(23)30-25(35)20-6-8-28-9-7-20/h4-9,18,29H,10-17,19H2,1-3H3,(H,30,35)