3-(1-adamantyl)-1-(3-methoxypropyl)-1-[(1-methylpyrrol-2-yl)methyl]urea

Systemtic Name: 3-(1-adamantyl)-1-(3-methoxypropyl)-1-[(1-methylpyrrol-2-yl)methyl]urea Openeye Name: 3-(1-adamantyl)-1-(3-methoxypropyl)-1-[(1-methylpyrrol-2-yl)methyl]urea CAS Name: 3-(1-adamantyl)-1-(3-methoxypropyl)-1-[(1-methyl-2-pyrrolyl)methyl]urea IUPAC Name: 3-(1-adamantyl)-1-(3-methoxypropyl)-1-[(1-methylpyrrol-2-yl)methyl]urea Traditional Name: 3-(1-adamantyl)-1-(3-methoxypropyl)-1-[(1-methylpyrrol-2-yl)methyl]urea Formula: C21H33N3O2 MolecularWeight: 359.50562

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1CN(CCCOC)C(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CN1C=CC=C1CN(CCCOC)C(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H33N3O2/c1-23-6-3-5-19(23)15-24(7-4-8-26-2)20(25)22-21-12-16-9-17(13-21)11-18(10-16)14-21/h3,5-6,16-18H,4,7-15H2,1-2H3,(H,22,25)