5-nitro-3-phenylmethoxy-1-(2-pyrrolidin-1-ylethyl)indazole

Systemtic Name: 5-nitro-3-phenylmethoxy-1-(2-pyrrolidin-1-ylethyl)indazole Openeye Name: 3-benzyloxy-5-nitro-1-(2-pyrrolidin-1-ylethyl)indazole CAS Name: 5-nitro-3-phenylmethoxy-1-[2-(1-pyrrolidinyl)ethyl]indazole IUPAC Name: 5-nitro-3-phenylmethoxy-1-(2-pyrrolidin-1-ylethyl)indazole Traditional Name: 3-benzoxy-5-nitro-1-(2-pyrrolidinoethyl)indazole Formula: C20H22N4O3 MolecularWeight: 366.41368

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=N2)OCC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)CCN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=N2)OCC4=CC=CC=C4

InChI

InChI=1S/C20H22N4O3/c25-24(26)17-8-9-19-18(14-17)20(27-15-16-6-2-1-3-7-16)21-23(19)13-12-22-10-4-5-11-22/h1-3,6-9,14H,4-5,10-13,15H2