2,4-dimethyl-N-[1-[4-[[(3S)-2-oxidanylideneazepan-3-yl]carbamoyl]phenyl]pyrazol-4-yl]benzamide

Systemtic Name: 2,4-dimethyl-N-[1-[4-[[(3S)-2-oxidanylideneazepan-3-yl]carbamoyl]phenyl]pyrazol-4-yl]benzamide Openeye Name: 2,4-dimethyl-N-[1-[4-[[(3S)-2-oxoazepan-3-yl]carbamoyl]phenyl]pyrazol-4-yl]benzamide CAS Name: 2,4-dimethyl-N-[1-[4-[oxo-[[(3S)-2-oxo-3-azepanyl]amino]methyl]phenyl]-4-pyrazolyl]benzamide IUPAC Name: 2,4-dimethyl-N-[1-[4-[[(3S)-2-oxoazepan-3-yl]carbamoyl]phenyl]pyrazol-4-yl]benzamide Traditional Name: N-[1-[4-[[(3S)-2-ketoazepan-3-yl]carbamoyl]phenyl]pyrazol-4-yl]-2,4-dimethyl-benzamide Formula: C25H27N5O3 MolecularWeight: 445.51358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)NC2=CN(N=C2)C3=CC=C(C=C3)C(=O)NC4CCCCNC4=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)NC2=CN(N=C2)C3=CC=C(C=C3)C(=O)N[C@H]4CCCCNC4=O)C

InChI

InChI=1S/C25H27N5O3/c1-16-6-11-21(17(2)13-16)24(32)28-19-14-27-30(15-19)20-9-7-18(8-10-20)23(31)29-22-5-3-4-12-26-25(22)33/h6-11,13-15,22H,3-5,12H2,1-2H3,(H,26,33)(H,28,32)(H,29,31)/t22-/m0/s1