4-[[[azanyl-[4-(2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoyl)piperazin-1-yl]methylidene]amino]methyl]benzamide

Systemtic Name: 4-[[[azanyl-[4-(2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoyl)piperazin-1-yl]methylidene]amino]methyl]benzamide Openeye Name: 4-[[[amino-[4-(2-cyclopentyl-2-hydroxy-2-phenyl-acetyl)piperazin-1-yl]methylene]amino]methyl]benzamide CAS Name: 4-[[[amino-[4-(2-cyclopentyl-2-hydroxy-1-oxo-2-phenylethyl)-1-piperazinyl]methylidene]amino]methyl]benzamide IUPAC Name: 4-[[[amino-[4-(2-cyclopentyl-2-hydroxy-2-phenylacetyl)piperazin-1-yl]methylidene]amino]methyl]benzamide Traditional Name: 4-[[[amino-[4-(2-cyclopentyl-2-hydroxy-2-phenyl-acetyl)piperazino]methylene]amino]methyl]benzamide Formula: C26H33N5O3 MolecularWeight: 463.57192

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(C2=CC=CC=C2)(C(=O)N3CCN(CC3)C(=NCC4=CC=C(C=C4)C(=O)N)N)O

Isomeric SMILES

C1CCC(C1)C(C2=CC=CC=C2)(C(=O)N3CCN(CC3)C(=NCC4=CC=C(C=C4)C(=O)N)N)O

InChI

InChI=1S/C26H33N5O3/c27-23(32)20-12-10-19(11-13-20)18-29-25(28)31-16-14-30(15-17-31)24(33)26(34,22-8-4-5-9-22)21-6-2-1-3-7-21/h1-3,6-7,10-13,22,34H,4-5,8-9,14-18H2,(H2,27,32)(H2,28,29)