5-[(4-chlorophenyl)carbamoylamino]-2-phenyl-4-(3,4,5,6-tetrahydro-2H-azepin-7-yl)pyrazol-3-olate

Systemtic Name: 5-[(4-chlorophenyl)carbamoylamino]-2-phenyl-4-(3,4,5,6-tetrahydro-2H-azepin-7-yl)pyrazol-3-olate Openeye Name: 5-[(4-chlorophenyl)carbamoylamino]-2-phenyl-4-(3,4,5,6-tetrahydro-2H-azepin-7-yl)pyrazol-3-olate CAS Name: 5-[[(4-chloroanilino)-oxomethyl]amino]-2-phenyl-4-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-3-pyrazololate IUPAC Name: 5-[(4-chlorophenyl)carbamoylamino]-2-phenyl-4-(3,4,5,6-tetrahydro-2H-azepin-7-yl)pyrazol-3-olate Traditional Name: 5-[(4-chlorophenyl)carbamoylamino]-2-phenyl-4-(3,4,5,6-tetrahydro-2H-azepin-7-yl)pyrazol-3-olate Formula: C22H21ClN5O2- MolecularWeight: 422.88744

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NCC1)C2=C(N(N=C2NC(=O)NC3=CC=C(C=C3)Cl)C4=CC=CC=C4)[O-]

Isomeric SMILES

C1CCC(=NCC1)C2=C(N(N=C2NC(=O)NC3=CC=C(C=C3)Cl)C4=CC=CC=C4)[O-]

InChI

InChI=1S/C22H22ClN5O2/c23-15-10-12-16(13-11-15)25-22(30)26-20-19(18-9-5-2-6-14-24-18)21(29)28(27-20)17-7-3-1-4-8-17/h1,3-4,7-8,10-13,29H,2,5-6,9,14H2,(H2,25,26,27,30)/p-1