4-[4-[(1-ethylpyrazol-4-yl)methylamino]piperidin-1-yl]-N-[(3S)-2-oxidanylideneazepan-3-yl]benzamide

Systemtic Name: 4-[4-[(1-ethylpyrazol-4-yl)methylamino]piperidin-1-yl]-N-[(3S)-2-oxidanylideneazepan-3-yl]benzamide Openeye Name: 4-[4-[(1-ethylpyrazol-4-yl)methylamino]-1-piperidyl]-N-[(3S)-2-oxoazepan-3-yl]benzamide CAS Name: 4-[4-[(1-ethyl-4-pyrazolyl)methylamino]-1-piperidinyl]-N-[(3S)-2-oxo-3-azepanyl]benzamide IUPAC Name: 4-[4-[(1-ethylpyrazol-4-yl)methylamino]piperidin-1-yl]-N-[(3S)-2-oxoazepan-3-yl]benzamide Traditional Name: 4-[4-[(1-ethylpyrazol-4-yl)methylamino]piperidino]-N-[(3S)-2-ketoazepan-3-yl]benzamide Formula: C24H34N6O2 MolecularWeight: 438.56576

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)CNC2CCN(CC2)C3=CC=C(C=C3)C(=O)NC4CCCCNC4=O

Isomeric SMILES

CCN1C=C(C=N1)CNC2CCN(CC2)C3=CC=C(C=C3)C(=O)N[C@H]4CCCCNC4=O

InChI

InChI=1S/C24H34N6O2/c1-2-30-17-18(16-27-30)15-26-20-10-13-29(14-11-20)21-8-6-19(7-9-21)23(31)28-22-5-3-4-12-25-24(22)32/h6-9,16-17,20,22,26H,2-5,10-15H2,1H3,(H,25,32)(H,28,31)/t22-/m0/s1