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

Systemtic Name: 1-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-(4-cyanophenyl)-1-prop-2-enyl-urea Openeye Name: 1-allyl-1-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-(4-cyanophenyl)urea CAS Name: 1-[[1-[(3-chlorophenyl)methyl]-2-pyrrolyl]methyl]-3-(4-cyanophenyl)-1-prop-2-enylurea IUPAC Name: 1-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-(4-cyanophenyl)-1-prop-2-enylurea Traditional Name: 1-allyl-1-[[1-(3-chlorobenzyl)pyrrol-2-yl]methyl]-3-(4-cyanophenyl)urea Formula: C23H21ClN4O MolecularWeight: 404.89204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21ClN4O/c1-2-12-28(23(29)26-21-10-8-18(15-25)9-11-21)17-22-7-4-13-27(22)16-19-5-3-6-20(24)14-19/h2-11,13-14H,1,12,16-17H2,(H,26,29)