N-[(Z)-3-(3-imidazol-1-ylpropylamino)-1-(1-methylindol-3-yl)-3-oxidanylidene-prop-1-en-2-yl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[(Z)-3-(3-imidazol-1-ylpropylamino)-1-(1-methylindol-3-yl)-3-oxidanylidene-prop-1-en-2-yl]-3,4-dimethoxy-benzamide Openeye Name: N-[(Z)-1-(3-imidazol-1-ylpropylcarbamoyl)-2-(1-methylindol-3-yl)vinyl]-3,4-dimethoxy-benzamide CAS Name: N-[(Z)-3-[3-(1-imidazolyl)propylamino]-1-(1-methyl-3-indolyl)-3-oxoprop-1-en-2-yl]-3,4-dimethoxybenzamide IUPAC Name: N-[(Z)-3-(3-imidazol-1-ylpropylamino)-1-(1-methylindol-3-yl)-3-oxoprop-1-en-2-yl]-3,4-dimethoxybenzamide Traditional Name: N-[(Z)-1-(3-imidazol-1-ylpropylcarbamoyl)-2-(1-methylindol-3-yl)vinyl]-3,4-dimethoxy-benzamide Formula: C27H29N5O4 MolecularWeight: 487.55026

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C=C(C(=O)NCCCN3C=CN=C3)NC(=O)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)/C=C(/C(=O)NCCCN3C=CN=C3)\NC(=O)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C27H29N5O4/c1-31-17-20(21-7-4-5-8-23(21)31)15-22(27(34)29-11-6-13-32-14-12-28-18-32)30-26(33)19-9-10-24(35-2)25(16-19)36-3/h4-5,7-10,12,14-18H,6,11,13H2,1-3H3,(H,29,34)(H,30,33)/b22-15-