4-azanyl-2-[[2-benzamido-3-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)prop-2-enoyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-[[2-benzamido-3-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)prop-2-enoyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[[2-benzamido-3-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]prop-2-enoyl]amino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[[2-benzamido-1-oxo-3-[1-phenyl-3-(3-pyridinyl)-4-pyrazolyl]prop-2-enyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[[2-benzamido-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoyl]amino]-4-oxobutanoic acid Traditional Name: 4-amino-2-[[2-benzamido-3-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]acryloyl]amino]-4-keto-butyric acid Formula: C28H24N6O5 MolecularWeight: 524.52736

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(=CC2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4)C(=O)NC(CC(=O)N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC(=CC2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4)C(=O)NC(CC(=O)N)C(=O)O

InChI

InChI=1S/C28H24N6O5/c29-24(35)15-23(28(38)39)32-27(37)22(31-26(36)18-8-3-1-4-9-18)14-20-17-34(21-11-5-2-6-12-21)33-25(20)19-10-7-13-30-16-19/h1-14,16-17,23H,15H2,(H2,29,35)(H,31,36)(H,32,37)(H,38,39)