3-nitro-N-[1-(phenylmethyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-pyrrolidin-1-yl-benzamide

Systemtic Name: 3-nitro-N-[1-(phenylmethyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-pyrrolidin-1-yl-benzamide Openeye Name: N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: 3-nitro-N-[1-(phenylmethyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-nitro-4-pyrrolidino-benzamide Formula: C25H27N5O3 MolecularWeight: 445.51358

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC3CCCC4=C3C=NN4CC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC3CCCC4=C3C=NN4CC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H27N5O3/c31-25(19-11-12-23(24(15-19)30(32)33)28-13-4-5-14-28)27-21-9-6-10-22-20(21)16-26-29(22)17-18-7-2-1-3-8-18/h1-3,7-8,11-12,15-16,21H,4-6,9-10,13-14,17H2,(H,27,31)