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

Systemtic Name: 2-chloranyl-N-[(4S)-5-oxidanylidene-1-phenyl-4-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-4H-pyrazol-3-yl]benzamide Openeye Name: 2-chloro-N-[(4S)-5-oxo-1-phenyl-4-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-4H-pyrazol-3-yl]benzamide CAS Name: 2-chloro-N-[(4S)-5-oxo-1-phenyl-4-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-4H-pyrazol-3-yl]benzamide IUPAC Name: 2-chloro-N-[(4S)-5-oxo-1-phenyl-4-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-4H-pyrazol-3-yl]benzamide Traditional Name: 2-chloro-N-[(4S)-5-keto-1-phenyl-4-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-2-pyrazolin-3-yl]benzamide Formula: C22H21ClN4O2 MolecularWeight: 408.88074

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NCC1)C2C(=NN(C2=O)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4Cl

Isomeric SMILES

C1CCC(=NCC1)[C@H]2C(=NN(C2=O)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C22H21ClN4O2/c23-17-12-7-6-11-16(17)21(28)25-20-19(18-13-5-2-8-14-24-18)22(29)27(26-20)15-9-3-1-4-10-15/h1,3-4,6-7,9-12,19H,2,5,8,13-14H2,(H,25,26,28)/t19-/m0/s1