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

Systemtic Name: N-[5-piperazin-1-ylcarbonyl-2-(4-pyridin-4-ylcarbonyl-1,4-diazepan-1-yl)phenyl]cyclopropanecarboxamide Openeye Name: N-[5-(piperazine-1-carbonyl)-2-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]phenyl]cyclopropanecarboxamide CAS Name: N-[5-[oxo(1-piperazinyl)methyl]-2-[4-[oxo(pyridin-4-yl)methyl]-1,4-diazepan-1-yl]phenyl]cyclopropanecarboxamide IUPAC Name: N-[5-(piperazine-1-carbonyl)-2-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]phenyl]cyclopropanecarboxamide Traditional Name: N-[2-(4-isonicotinoyl-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=CC=NC=C2)C3=C(C=C(C=C3)C(=O)N4CCNCC4)NC(=O)C5CC5

Isomeric SMILES

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

InChI

InChI=1S/C26H32N6O3/c33-24(19-2-3-19)29-22-18-21(26(35)32-14-10-28-11-15-32)4-5-23(22)30-12-1-13-31(17-16-30)25(34)20-6-8-27-9-7-20/h4-9,18-19,28H,1-3,10-17H2,(H,29,33)