4-[4-[methyl(1H-pyrazol-5-ylmethyl)amino]piperidin-1-yl]-N-[(3S)-2-oxidanylideneazepan-3-yl]benzamide

Systemtic Name: 4-[4-[methyl(1H-pyrazol-5-ylmethyl)amino]piperidin-1-yl]-N-[(3S)-2-oxidanylideneazepan-3-yl]benzamide Openeye Name: 4-[4-[methyl(1H-pyrazol-5-ylmethyl)amino]-1-piperidyl]-N-[(3S)-2-oxoazepan-3-yl]benzamide CAS Name: 4-[4-[methyl(1H-pyrazol-5-ylmethyl)amino]-1-piperidinyl]-N-[(3S)-2-oxo-3-azepanyl]benzamide IUPAC Name: 4-[4-[methyl(1H-pyrazol-5-ylmethyl)amino]piperidin-1-yl]-N-[(3S)-2-oxoazepan-3-yl]benzamide Traditional Name: N-[(3S)-2-ketoazepan-3-yl]-4-[4-[methyl(1H-pyrazol-5-ylmethyl)amino]piperidino]benzamide Formula: C23H32N6O2 MolecularWeight: 424.53918

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=NN1)C2CCN(CC2)C3=CC=C(C=C3)C(=O)NC4CCCCNC4=O

Isomeric SMILES

CN(CC1=CC=NN1)C2CCN(CC2)C3=CC=C(C=C3)C(=O)N[C@H]4CCCCNC4=O

InChI

InChI=1S/C23H32N6O2/c1-28(16-18-9-13-25-27-18)19-10-14-29(15-11-19)20-7-5-17(6-8-20)22(30)26-21-4-2-3-12-24-23(21)31/h5-9,13,19,21H,2-4,10-12,14-16H2,1H3,(H,24,31)(H,25,27)(H,26,30)/t21-/m0/s1