1-[[3-(aminomethyl)phenyl]methyl]-3-butyl-urea

Systemtic Name: 1-[[3-(aminomethyl)phenyl]methyl]-3-butyl-urea Openeye Name: 1-[[3-(aminomethyl)phenyl]methyl]-3-butyl-urea CAS Name: 1-[[3-(aminomethyl)phenyl]methyl]-3-butylurea IUPAC Name: 1-[[3-(aminomethyl)phenyl]methyl]-3-butylurea Traditional Name: 1-[3-(aminomethyl)benzyl]-3-butyl-urea Formula: C13H21N3O MolecularWeight: 235.32534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NCC1=CC=CC(=C1)CN

Isomeric SMILES

CCCCNC(=O)NCC1=CC=CC(=C1)CN

InChI

InChI=1S/C13H21N3O/c1-2-3-7-15-13(17)16-10-12-6-4-5-11(8-12)9-14/h4-6,8H,2-3,7,9-10,14H2,1H3,(H2,15,16,17)