N-[2-[4-(4-cyanophenyl)carbonylpiperazin-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]cyclopropanecarboxamide

Systemtic Name: N-[2-[4-(4-cyanophenyl)carbonylpiperazin-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]cyclopropanecarboxamide Openeye Name: N-[2-[4-(4-cyanobenzoyl)piperazin-1-yl]-5-(piperazine-1-carbonyl)phenyl]cyclopropanecarboxamide CAS Name: N-[2-[4-[(4-cyanophenyl)-oxomethyl]-1-piperazinyl]-5-[oxo(1-piperazinyl)methyl]phenyl]cyclopropanecarboxamide IUPAC Name: N-[2-[4-(4-cyanobenzoyl)piperazin-1-yl]-5-(piperazine-1-carbonyl)phenyl]cyclopropanecarboxamide Traditional Name: N-[2-[4-(4-cyanobenzoyl)piperazino]-5-(piperazine-1-carbonyl)phenyl]cyclopropanecarboxamide Formula: C27H30N6O3 MolecularWeight: 486.5655

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NC2=C(C=CC(=C2)C(=O)N3CCNCC3)N4CCN(CC4)C(=O)C5=CC=C(C=C5)C#N

Isomeric SMILES

C1CC1C(=O)NC2=C(C=CC(=C2)C(=O)N3CCNCC3)N4CCN(CC4)C(=O)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C27H30N6O3/c28-18-19-1-3-21(4-2-19)26(35)33-15-13-31(14-16-33)24-8-7-22(27(36)32-11-9-29-10-12-32)17-23(24)30-25(34)20-5-6-20/h1-4,7-8,17,20,29H,5-6,9-16H2,(H,30,34)