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

Systemtic Name: 1-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-3-naphthalen-1-yl-1-prop-2-enyl-urea Openeye Name: 1-allyl-3-(1-naphthyl)-1-[[1-(o-tolylmethyl)pyrrol-2-yl]methyl]urea CAS Name: 1-[[1-[(2-methylphenyl)methyl]-2-pyrrolyl]methyl]-3-(1-naphthalenyl)-1-prop-2-enylurea IUPAC Name: 1-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-3-naphthalen-1-yl-1-prop-2-enylurea Traditional Name: 1-allyl-1-[[1-(2-methylbenzyl)pyrrol-2-yl]methyl]-3-(1-naphthyl)urea Formula: C27H27N3O MolecularWeight: 409.52278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=CC=C2CN(CC=C)C(=O)NC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC1=CC=CC=C1CN2C=CC=C2CN(CC=C)C(=O)NC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C27H27N3O/c1-3-17-30(27(31)28-26-16-8-13-22-11-6-7-15-25(22)26)20-24-14-9-18-29(24)19-23-12-5-4-10-21(23)2/h3-16,18H,1,17,19-20H2,2H3,(H,28,31)