1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methanone

Systemtic Name: 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methanone Openeye Name: 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methanone CAS Name: 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methanone IUPAC Name: 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methanone Traditional Name: 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methanone Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC12OCCO2)C(=O)C3=C(N(N=C3)C4=CC=CC=C4)N5C=CC=C5

Isomeric SMILES

C1CN(CCC12OCCO2)C(=O)C3=C(N(N=C3)C4=CC=CC=C4)N5C=CC=C5

InChI

InChI=1S/C21H22N4O3/c26-20(24-12-8-21(9-13-24)27-14-15-28-21)18-16-22-25(17-6-2-1-3-7-17)19(18)23-10-4-5-11-23/h1-7,10-11,16H,8-9,12-15H2