1-(3,4-dimethylphenyl)-3-[[1-(phenylmethyl)pyrrol-2-yl]methyl]urea

Systemtic Name: 1-(3,4-dimethylphenyl)-3-[[1-(phenylmethyl)pyrrol-2-yl]methyl]urea Openeye Name: 1-[(1-benzylpyrrol-2-yl)methyl]-3-(3,4-dimethylphenyl)urea CAS Name: 1-(3,4-dimethylphenyl)-3-[[1-(phenylmethyl)-2-pyrrolyl]methyl]urea IUPAC Name: 1-[(1-benzylpyrrol-2-yl)methyl]-3-(3,4-dimethylphenyl)urea Traditional Name: 1-[(1-benzylpyrrol-2-yl)methyl]-3-(3,4-dimethylphenyl)urea Formula: C21H23N3O MolecularWeight: 333.42682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)NCC2=CC=CN2CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)NCC2=CC=CN2CC3=CC=CC=C3)C

InChI

InChI=1S/C21H23N3O/c1-16-10-11-19(13-17(16)2)23-21(25)22-14-20-9-6-12-24(20)15-18-7-4-3-5-8-18/h3-13H,14-15H2,1-2H3,(H2,22,23,25)