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

Systemtic Name: N-[2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]pyridine-3-carboxamide Openeye Name: N-[2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-5-(piperazine-1-carbonyl)phenyl]pyridine-3-carboxamide CAS Name: N-[2-[4-(3,3-dimethyl-1-oxobutyl)-1-piperazinyl]-5-[oxo(1-piperazinyl)methyl]phenyl]-3-pyridinecarboxamide IUPAC Name: N-[2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-5-(piperazine-1-carbonyl)phenyl]pyridine-3-carboxamide Traditional Name: N-[2-[4-(3,3-dimethylbutanoyl)piperazino]-5-(piperazine-1-carbonyl)phenyl]nicotinamide 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=CN=CC=C4

Isomeric SMILES

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

InChI

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