5-nitro-3-phenylmethoxy-1-(5-pyrrolidin-1-ylpentyl)indazole

Systemtic Name: 5-nitro-3-phenylmethoxy-1-(5-pyrrolidin-1-ylpentyl)indazole Openeye Name: 3-benzyloxy-5-nitro-1-(5-pyrrolidin-1-ylpentyl)indazole CAS Name: 5-nitro-3-phenylmethoxy-1-[5-(1-pyrrolidinyl)pentyl]indazole IUPAC Name: 5-nitro-3-phenylmethoxy-1-(5-pyrrolidin-1-ylpentyl)indazole Traditional Name: 3-benzoxy-5-nitro-1-(5-pyrrolidinopentyl)indazole Formula: C23H28N4O3 MolecularWeight: 408.49342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCCCCN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=N2)OCC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)CCCCCN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=N2)OCC4=CC=CC=C4

InChI

InChI=1S/C23H28N4O3/c28-27(29)20-11-12-22-21(17-20)23(30-18-19-9-3-1-4-10-19)24-26(22)16-6-2-5-13-25-14-7-8-15-25/h1,3-4,9-12,17H,2,5-8,13-16,18H2