3-(1-adamantyl)-1-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-1-propyl-urea

Systemtic Name: 3-(1-adamantyl)-1-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-1-propyl-urea Openeye Name: 3-(1-adamantyl)-1-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-1-propyl-urea CAS Name: 3-(1-adamantyl)-1-[[1-[(3-chlorophenyl)methyl]-2-pyrrolyl]methyl]-1-propylurea IUPAC Name: 3-(1-adamantyl)-1-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-1-propylurea Traditional Name: 3-(1-adamantyl)-1-[[1-(3-chlorobenzyl)pyrrol-2-yl]methyl]-1-propyl-urea Formula: C26H34ClN3O MolecularWeight: 440.02066

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=CN1CC2=CC(=CC=C2)Cl)C(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCN(CC1=CC=CN1CC2=CC(=CC=C2)Cl)C(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H34ClN3O/c1-2-8-30(18-24-7-4-9-29(24)17-19-5-3-6-23(27)13-19)25(31)28-26-14-20-10-21(15-26)12-22(11-20)16-26/h3-7,9,13,20-22H,2,8,10-12,14-18H2,1H3,(H,28,31)