N-[(Z)-1-(1,3-diphenylpyrazol-4-yl)-3-(2-morpholin-4-ium-4-ylethylamino)-3-oxidanylidene-prop-1-en-2-yl]furan-2-carboxamide

Systemtic Name: N-[(Z)-1-(1,3-diphenylpyrazol-4-yl)-3-(2-morpholin-4-ium-4-ylethylamino)-3-oxidanylidene-prop-1-en-2-yl]furan-2-carboxamide Openeye Name: N-[(Z)-2-(1,3-diphenylpyrazol-4-yl)-1-(2-morpholin-4-ium-4-ylethylcarbamoyl)vinyl]furan-2-carboxamide CAS Name: N-[(Z)-1-(1,3-diphenyl-4-pyrazolyl)-3-[2-(4-morpholin-4-iumyl)ethylamino]-3-oxoprop-1-en-2-yl]-2-furancarboxamide IUPAC Name: N-[(Z)-1-(1,3-diphenylpyrazol-4-yl)-3-(2-morpholin-4-ium-4-ylethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide Traditional Name: N-[(Z)-2-(1,3-diphenylpyrazol-4-yl)-1-(2-morpholin-4-ium-4-ylethylcarbamoyl)vinyl]-2-furamide Formula: C29H30N5O4+ MolecularWeight: 512.5796

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC(=O)C(=CC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)C5=CC=CO5

Isomeric SMILES

C1COCC[NH+]1CCNC(=O)/C(=C/C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)/NC(=O)C5=CC=CO5

InChI

InChI=1S/C29H29N5O4/c35-28(30-13-14-33-15-18-37-19-16-33)25(31-29(36)26-12-7-17-38-26)20-23-21-34(24-10-5-2-6-11-24)32-27(23)22-8-3-1-4-9-22/h1-12,17,20-21H,13-16,18-19H2,(H,30,35)(H,31,36)/p+1/b25-20-