1-[[(6E)-2-azanyl-6-[2-(cyclopropylmethoxy)-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]-4-piperidin-3-yl-1H-pyridin-3-yl]methyl]urea

Systemtic Name: 1-[[(6E)-2-azanyl-6-[2-(cyclopropylmethoxy)-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]-4-piperidin-3-yl-1H-pyridin-3-yl]methyl]urea Openeye Name: [(6E)-2-amino-6-[2-(cyclopropylmethoxy)-6-oxo-cyclohexa-2,4-dien-1-ylidene]-4-(3-piperidyl)-1H-pyridin-3-yl]methylurea CAS Name: [(6E)-2-amino-6-[2-(cyclopropylmethoxy)-6-oxo-1-cyclohexa-2,4-dienylidene]-4-(3-piperidinyl)-1H-pyridin-3-yl]methylurea IUPAC Name: [(6E)-2-amino-6-[2-(cyclopropylmethoxy)-6-oxocyclohexa-2,4-dien-1-ylidene]-4-piperidin-3-yl-1H-pyridin-3-yl]methylurea Traditional Name: [(6E)-2-amino-6-[2-(cyclopropylmethoxy)-6-keto-cyclohexa-2,4-dien-1-ylidene]-4-(3-piperidyl)-1H-pyridin-3-yl]methylurea Formula: C22H29N5O3 MolecularWeight: 411.49736

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CNC1)C2=CC(=C3C(=O)C=CC=C3OCC4CC4)NC(=C2CNC(=O)N)N

Isomeric SMILES

C1CC(CNC1)C2=C/C(=C/3\C(=O)C=CC=C3OCC4CC4)/NC(=C2CNC(=O)N)N

InChI

InChI=1S/C22H29N5O3/c23-21-16(11-26-22(24)29)15(14-3-2-8-25-10-14)9-17(27-21)20-18(28)4-1-5-19(20)30-12-13-6-7-13/h1,4-5,9,13-14,25,27H,2-3,6-8,10-12,23H2,(H3,24,26,29)/b20-17-