1-butyl-1-[(6-butyl-2-oxidanylidene-1H-pyridin-3-yl)methyl]-3-phenyl-urea

Systemtic Name: 1-butyl-1-[(6-butyl-2-oxidanylidene-1H-pyridin-3-yl)methyl]-3-phenyl-urea Openeye Name: 1-butyl-1-[(6-butyl-2-oxo-1H-pyridin-3-yl)methyl]-3-phenyl-urea CAS Name: 1-butyl-1-[(6-butyl-2-oxo-1H-pyridin-3-yl)methyl]-3-phenylurea IUPAC Name: 1-butyl-1-[(6-butyl-2-oxo-1H-pyridin-3-yl)methyl]-3-phenylurea Traditional Name: 1-butyl-1-[(6-butyl-2-keto-1H-pyridin-3-yl)methyl]-3-phenyl-urea Formula: C21H29N3O2 MolecularWeight: 355.47386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C(=O)N1)CN(CCCC)C(=O)NC2=CC=CC=C2

Isomeric SMILES

CCCCC1=CC=C(C(=O)N1)CN(CCCC)C(=O)NC2=CC=CC=C2

InChI

InChI=1S/C21H29N3O2/c1-3-5-10-19-14-13-17(20(25)22-19)16-24(15-6-4-2)21(26)23-18-11-8-7-9-12-18/h7-9,11-14H,3-6,10,15-16H2,1-2H3,(H,22,25)(H,23,26)