N-cyclopropyl-4-[[furan-2-ylmethyl-[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]amino]methyl]benzamide

Systemtic Name: N-cyclopropyl-4-[[furan-2-ylmethyl-[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]amino]methyl]benzamide Openeye Name: N-cyclopropyl-4-[[2-furylmethyl-[2-oxo-2-[4-(2-pyridyl)piperazin-1-yl]ethyl]amino]methyl]benzamide CAS Name: N-cyclopropyl-4-[[2-furanylmethyl-[2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]amino]methyl]benzamide IUPAC Name: N-cyclopropyl-4-[[furan-2-ylmethyl-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]amino]methyl]benzamide Traditional Name: N-cyclopropyl-4-[[2-furfuryl-[2-keto-2-[4-(2-pyridyl)piperazino]ethyl]amino]methyl]benzamide Formula: C27H31N5O3 MolecularWeight: 473.56674

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC=C(C=C2)CN(CC3=CC=CO3)CC(=O)N4CCN(CC4)C5=CC=CC=N5

Isomeric SMILES

C1CC1NC(=O)C2=CC=C(C=C2)CN(CC3=CC=CO3)CC(=O)N4CCN(CC4)C5=CC=CC=N5

InChI

InChI=1S/C27H31N5O3/c33-26(32-15-13-31(14-16-32)25-5-1-2-12-28-25)20-30(19-24-4-3-17-35-24)18-21-6-8-22(9-7-21)27(34)29-23-10-11-23/h1-9,12,17,23H,10-11,13-16,18-20H2,(H,29,34)