N-(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-methoxy-1-phenyl-pyrazole-3-carboxamide

Systemtic Name: N-(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-methoxy-1-phenyl-pyrazole-3-carboxamide Openeye Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-methoxy-1-phenyl-pyrazole-3-carboxamide CAS Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-methoxy-1-phenyl-3-pyrazolecarboxamide IUPAC Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-methoxy-1-phenylpyrazole-3-carboxamide Traditional Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-methoxy-1-phenyl-pyrazole-3-carboxamide Formula: C20H18ClN3O4 MolecularWeight: 399.82762

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN(N=C1C(=O)NC2=CC3=C(C=C2Cl)OCCCO3)C4=CC=CC=C4

Isomeric SMILES

COC1=CN(N=C1C(=O)NC2=CC3=C(C=C2Cl)OCCCO3)C4=CC=CC=C4

InChI

InChI=1S/C20H18ClN3O4/c1-26-18-12-24(13-6-3-2-4-7-13)23-19(18)20(25)22-15-11-17-16(10-14(15)21)27-8-5-9-28-17/h2-4,6-7,10-12H,5,8-9H2,1H3,(H,22,25)