3-[[(E)-2-benzamido-3-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)prop-2-enoyl]amino]propanoate

Systemtic Name: 3-[[(E)-2-benzamido-3-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)prop-2-enoyl]amino]propanoate Openeye Name: 3-[[(E)-2-benzamido-3-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]prop-2-enoyl]amino]propanoate CAS Name: 3-[[(E)-2-benzamido-1-oxo-3-[1-phenyl-3-(3-pyridinyl)-4-pyrazolyl]prop-2-enyl]amino]propanoate IUPAC Name: 3-[[(E)-2-benzamido-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoyl]amino]propanoate Traditional Name: 3-[[(E)-2-benzamido-3-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]acryloyl]amino]propionate Formula: C27H22N5O4- MolecularWeight: 480.49468

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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)NCCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N/C(=C/C2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4)/C(=O)NCCC(=O)[O-]

InChI

InChI=1S/C27H23N5O4/c33-24(34)13-15-29-27(36)23(30-26(35)19-8-3-1-4-9-19)16-21-18-32(22-11-5-2-6-12-22)31-25(21)20-10-7-14-28-17-20/h1-12,14,16-18H,13,15H2,(H,29,36)(H,30,35)(H,33,34)/p-1/b23-16+