3-(3-cyanophenyl)-1-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-1-prop-2-enyl-urea

Systemtic Name: 3-(3-cyanophenyl)-1-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-1-prop-2-enyl-urea Openeye Name: 1-allyl-3-(3-cyanophenyl)-1-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]urea CAS Name: 3-(3-cyanophenyl)-1-[[1-[(4-fluorophenyl)methyl]-2-pyrrolyl]methyl]-1-prop-2-enylurea IUPAC Name: 3-(3-cyanophenyl)-1-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-1-prop-2-enylurea Traditional Name: 1-allyl-3-(3-cyanophenyl)-1-[[1-(4-fluorobenzyl)pyrrol-2-yl]methyl]urea Formula: C23H21FN4O MolecularWeight: 388.437443

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC1=CC=CN1CC2=CC=C(C=C2)F)C(=O)NC3=CC=CC(=C3)C#N

Isomeric SMILES

C=CCN(CC1=CC=CN1CC2=CC=C(C=C2)F)C(=O)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C23H21FN4O/c1-2-12-28(23(29)26-21-6-3-5-19(14-21)15-25)17-22-7-4-13-27(22)16-18-8-10-20(24)11-9-18/h2-11,13-14H,1,12,16-17H2,(H,26,29)