1-(4-nitrophenyl)-5-piperidin-4-yl-N-(2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide

Systemtic Name: 1-(4-nitrophenyl)-5-piperidin-4-yl-N-(2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide Openeye Name: 1-(4-nitrophenyl)-5-(4-piperidyl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide CAS Name: 1-(4-nitrophenyl)-5-(4-piperidinyl)-N-[2-(1-pyrrolidinyl)ethyl]-4-pyrazolecarboxamide IUPAC Name: 1-(4-nitrophenyl)-5-piperidin-4-yl-N-(2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide Traditional Name: 1-(4-nitrophenyl)-5-(4-piperidyl)-N-(2-pyrrolidinoethyl)pyrazole-4-carboxamide Formula: C21H28N6O3 MolecularWeight: 412.48542

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCNC(=O)C2=C(N(N=C2)C3=CC=C(C=C3)[N+](=O)[O-])C4CCNCC4

Isomeric SMILES

C1CCN(C1)CCNC(=O)C2=C(N(N=C2)C3=CC=C(C=C3)[N+](=O)[O-])C4CCNCC4

InChI

InChI=1S/C21H28N6O3/c28-21(23-11-14-25-12-1-2-13-25)19-15-24-26(20(19)16-7-9-22-10-8-16)17-3-5-18(6-4-17)27(29)30/h3-6,15-16,22H,1-2,7-14H2,(H,23,28)