1-(4-acetamido-5-methyl-2-phenyl-pyrazol-3-yl)-N-[3-(azepan-1-yl)propyl]piperidine-4-carboxamide

Systemtic Name: 1-(4-acetamido-5-methyl-2-phenyl-pyrazol-3-yl)-N-[3-(azepan-1-yl)propyl]piperidine-4-carboxamide Openeye Name: 1-(4-acetamido-5-methyl-2-phenyl-pyrazol-3-yl)-N-[3-(azepan-1-yl)propyl]piperidine-4-carboxamide CAS Name: 1-(4-acetamido-5-methyl-2-phenyl-3-pyrazolyl)-N-[3-(1-azepanyl)propyl]-4-piperidinecarboxamide IUPAC Name: 1-(4-acetamido-5-methyl-2-phenylpyrazol-3-yl)-N-[3-(azepan-1-yl)propyl]piperidine-4-carboxamide Traditional Name: 1-(4-acetamido-5-methyl-2-phenyl-pyrazol-3-yl)-N-[3-(azepan-1-yl)propyl]isonipecotamide Formula: C27H40N6O2 MolecularWeight: 480.6455

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1NC(=O)C)N2CCC(CC2)C(=O)NCCCN3CCCCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1NC(=O)C)N2CCC(CC2)C(=O)NCCCN3CCCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C27H40N6O2/c1-21-25(29-22(2)34)27(33(30-21)24-11-6-5-7-12-24)32-19-13-23(14-20-32)26(35)28-15-10-18-31-16-8-3-4-9-17-31/h5-7,11-12,23H,3-4,8-10,13-20H2,1-2H3,(H,28,35)(H,29,34)