N-[3-(3-imidazol-1-ylpropylamino)-3-oxidanylidene-1-(3-phenoxyphenyl)prop-1-en-2-yl]-4-methyl-benzamide

Systemtic Name: N-[3-(3-imidazol-1-ylpropylamino)-3-oxidanylidene-1-(3-phenoxyphenyl)prop-1-en-2-yl]-4-methyl-benzamide Openeye Name: N-[1-(3-imidazol-1-ylpropylcarbamoyl)-2-(3-phenoxyphenyl)vinyl]-4-methyl-benzamide CAS Name: N-[3-[3-(1-imidazolyl)propylamino]-3-oxo-1-(3-phenoxyphenyl)prop-1-en-2-yl]-4-methylbenzamide IUPAC Name: N-[3-(3-imidazol-1-ylpropylamino)-3-oxo-1-(3-phenoxyphenyl)prop-1-en-2-yl]-4-methylbenzamide Traditional Name: N-[1-(3-imidazol-1-ylpropylcarbamoyl)-2-(3-phenoxyphenyl)vinyl]-4-methyl-benzamide Formula: C29H28N4O3 MolecularWeight: 480.55762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(=CC2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)NCCCN4C=CN=C4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(=CC2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)NCCCN4C=CN=C4

InChI

InChI=1S/C29H28N4O3/c1-22-11-13-24(14-12-22)28(34)32-27(29(35)31-15-6-17-33-18-16-30-21-33)20-23-7-5-10-26(19-23)36-25-8-3-2-4-9-25/h2-5,7-14,16,18-21H,6,15,17H2,1H3,(H,31,35)(H,32,34)