3-(1-adamantyl)-1-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-prop-2-enyl-urea

Systemtic Name: 3-(1-adamantyl)-1-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-prop-2-enyl-urea Openeye Name: 3-(1-adamantyl)-1-allyl-1-[[1-(o-tolylmethyl)pyrrol-2-yl]methyl]urea CAS Name: 3-(1-adamantyl)-1-[[1-[(2-methylphenyl)methyl]-2-pyrrolyl]methyl]-1-prop-2-enylurea IUPAC Name: 3-(1-adamantyl)-1-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-prop-2-enylurea Traditional Name: 3-(1-adamantyl)-1-allyl-1-[[1-(2-methylbenzyl)pyrrol-2-yl]methyl]urea Formula: C27H35N3O MolecularWeight: 417.5863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=CC=C2CN(CC=C)C(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=CC=C1CN2C=CC=C2CN(CC=C)C(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H35N3O/c1-3-10-30(19-25-9-6-11-29(25)18-24-8-5-4-7-20(24)2)26(31)28-27-15-21-12-22(16-27)14-23(13-21)17-27/h3-9,11,21-23H,1,10,12-19H2,2H3,(H,28,31)