1-[4-[1-[5-(4-methylphenyl)carbonyl-1H-pyrrol-2-yl]ethyl]phenyl]urea

Systemtic Name: 1-[4-[1-[5-(4-methylphenyl)carbonyl-1H-pyrrol-2-yl]ethyl]phenyl]urea Openeye Name: [4-[1-[5-(4-methylbenzoyl)-1H-pyrrol-2-yl]ethyl]phenyl]urea CAS Name: [4-[1-[5-[(4-methylphenyl)-oxomethyl]-1H-pyrrol-2-yl]ethyl]phenyl]urea IUPAC Name: [4-[1-[5-(4-methylbenzoyl)-1H-pyrrol-2-yl]ethyl]phenyl]urea Traditional Name: [4-[1-(5-p-toluoyl-1H-pyrrol-2-yl)ethyl]phenyl]urea Formula: C21H21N3O2 MolecularWeight: 347.41034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC=C(N2)C(C)C3=CC=C(C=C3)NC(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC=C(N2)C(C)C3=CC=C(C=C3)NC(=O)N

InChI

InChI=1S/C21H21N3O2/c1-13-3-5-16(6-4-13)20(25)19-12-11-18(24-19)14(2)15-7-9-17(10-8-15)23-21(22)26/h3-12,14,24H,1-2H3,(H3,22,23,26)