2-methyl-N-[(4S)-5-oxidanylidene-1-phenyl-4-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-4H-pyrazol-3-yl]benzamide

Systemtic Name: 2-methyl-N-[(4S)-5-oxidanylidene-1-phenyl-4-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-4H-pyrazol-3-yl]benzamide Openeye Name: 2-methyl-N-[(4S)-5-oxo-1-phenyl-4-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-4H-pyrazol-3-yl]benzamide CAS Name: 2-methyl-N-[(4S)-5-oxo-1-phenyl-4-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-4H-pyrazol-3-yl]benzamide IUPAC Name: 2-methyl-N-[(4S)-5-oxo-1-phenyl-4-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-4H-pyrazol-3-yl]benzamide Traditional Name: N-[(4S)-5-keto-1-phenyl-4-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-2-pyrazolin-3-yl]-2-methyl-benzamide Formula: C23H24N4O2 MolecularWeight: 388.46226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=NN(C(=O)C2C3=NCCCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=NN(C(=O)[C@H]2C3=NCCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C23H24N4O2/c1-16-10-7-8-13-18(16)22(28)25-21-20(19-14-6-3-9-15-24-19)23(29)27(26-21)17-11-4-2-5-12-17/h2,4-5,7-8,10-13,20H,3,6,9,14-15H2,1H3,(H,25,26,28)/t20-/m0/s1