N-[3-isocyano-4-methyl-1-(1-phenylethyl)pyrrol-2-yl]benzamide

Systemtic Name: N-[3-isocyano-4-methyl-1-(1-phenylethyl)pyrrol-2-yl]benzamide Openeye Name: N-[3-isocyano-4-methyl-1-(1-phenylethyl)pyrrol-2-yl]benzamide CAS Name: N-[3-isocyano-4-methyl-1-(1-phenylethyl)-2-pyrrolyl]benzamide IUPAC Name: N-[3-isocyano-4-methyl-1-(1-phenylethyl)pyrrol-2-yl]benzamide Traditional Name: N-[3-isocyano-4-methyl-1-(1-phenylethyl)pyrrol-2-yl]benzamide Formula: C21H19N3O MolecularWeight: 329.39506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=C1[N+]#[C-])NC(=O)C2=CC=CC=C2)C(C)C3=CC=CC=C3

Isomeric SMILES

CC1=CN(C(=C1[N+]#[C-])NC(=O)C2=CC=CC=C2)C(C)C3=CC=CC=C3

InChI

InChI=1S/C21H19N3O/c1-15-14-24(16(2)17-10-6-4-7-11-17)20(19(15)22-3)23-21(25)18-12-8-5-9-13-18/h4-14,16H,1-2H3,(H,23,25)