N-[5-(cyclopropylcarbonylamino)-2-methyl-phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide

Systemtic Name: N-[5-(cyclopropylcarbonylamino)-2-methyl-phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Openeye Name: N-[5-(cyclopropanecarbonylamino)-2-methyl-phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide CAS Name: N-[5-[[cyclopropyl(oxo)methyl]amino]-2-methylphenyl]-1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinecarboxamide IUPAC Name: N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Traditional Name: N-[5-(cyclopropanecarbonylamino)-2-methyl-phenyl]-1-[(E)-3-phenylacryloyl]isonipecotamide Formula: C26H29N3O3 MolecularWeight: 431.52676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2CC2)NC(=O)C3CCN(CC3)C(=O)C=CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2CC2)NC(=O)C3CCN(CC3)C(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C26H29N3O3/c1-18-7-11-22(27-25(31)20-9-10-20)17-23(18)28-26(32)21-13-15-29(16-14-21)24(30)12-8-19-5-3-2-4-6-19/h2-8,11-12,17,20-21H,9-10,13-16H2,1H3,(H,27,31)(H,28,32)/b12-8+