3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-1-methyl-pyrazole-4-carboxamide

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-1-methyl-pyrazole-4-carboxamide Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-1-methyl-pyrazole-4-carboxamide CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[1-[4-(1-imidazolyl)phenyl]ethyl]-1-methyl-4-pyrazolecarboxamide IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-1-methylpyrazole-4-carboxamide Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-1-methyl-pyrazole-4-carboxamide Formula: C25H25N5O3 MolecularWeight: 443.4977

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N2C=CN=C2)NC(=O)C3=CN(N=C3C4=CC5=C(C=C4)OCCCO5)C

Isomeric SMILES

CC(C1=CC=C(C=C1)N2C=CN=C2)NC(=O)C3=CN(N=C3C4=CC5=C(C=C4)OCCCO5)C

InChI

InChI=1S/C25H25N5O3/c1-17(18-4-7-20(8-5-18)30-11-10-26-16-30)27-25(31)21-15-29(2)28-24(21)19-6-9-22-23(14-19)33-13-3-12-32-22/h4-11,14-17H,3,12-13H2,1-2H3,(H,27,31)