N-[5-piperazin-1-ylcarbonyl-2-(4-pyridin-3-ylcarbonyl-1,4-diazepan-1-yl)phenyl]cyclopropanecarboxamide

Systemtic Name: N-[5-piperazin-1-ylcarbonyl-2-(4-pyridin-3-ylcarbonyl-1,4-diazepan-1-yl)phenyl]cyclopropanecarboxamide Openeye Name: N-[5-(piperazine-1-carbonyl)-2-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]phenyl]cyclopropanecarboxamide CAS Name: N-[5-[oxo(1-piperazinyl)methyl]-2-[4-[oxo(3-pyridinyl)methyl]-1,4-diazepan-1-yl]phenyl]cyclopropanecarboxamide IUPAC Name: N-[5-(piperazine-1-carbonyl)-2-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]phenyl]cyclopropanecarboxamide Traditional Name: N-[2-(4-nicotinoyl-1,4-diazepan-1-yl)-5-(piperazine-1-carbonyl)phenyl]cyclopropanecarboxamide Formula: C26H32N6O3 MolecularWeight: 476.57068

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CN=CC=C2)C3=C(C=C(C=C3)C(=O)N4CCNCC4)NC(=O)C5CC5

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CN=CC=C2)C3=C(C=C(C=C3)C(=O)N4CCNCC4)NC(=O)C5CC5

InChI

InChI=1S/C26H32N6O3/c33-24(19-4-5-19)29-22-17-20(25(34)32-13-9-27-10-14-32)6-7-23(22)30-11-2-12-31(16-15-30)26(35)21-3-1-8-28-18-21/h1,3,6-8,17-19,27H,2,4-5,9-16H2,(H,29,33)