3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-(2-phenyl-2-pyrrolidin-1-yl-ethyl)pyrazole-4-carboxamide

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-(2-phenyl-2-pyrrolidin-1-yl-ethyl)pyrazole-4-carboxamide Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-(2-phenyl-2-pyrrolidin-1-yl-ethyl)pyrazole-4-carboxamide CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-[2-phenyl-2-(1-pyrrolidinyl)ethyl]-4-pyrazolecarboxamide IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-(2-phenyl-2-pyrrolidino-ethyl)pyrazole-4-carboxamide Formula: C26H30N4O3 MolecularWeight: 446.5414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)NCC(C4=CC=CC=C4)N5CCCC5

Isomeric SMILES

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)NCC(C4=CC=CC=C4)N5CCCC5

InChI

InChI=1S/C26H30N4O3/c1-29-18-21(25(28-29)20-10-11-23-24(16-20)33-15-7-14-32-23)26(31)27-17-22(30-12-5-6-13-30)19-8-3-2-4-9-19/h2-4,8-11,16,18,22H,5-7,12-15,17H2,1H3,(H,27,31)