1-[3-(azepan-1-yl)propyl]-5-nitro-3-phenylmethoxy-indazole

Systemtic Name: 1-[3-(azepan-1-yl)propyl]-5-nitro-3-phenylmethoxy-indazole Openeye Name: 1-[3-(azepan-1-yl)propyl]-3-benzyloxy-5-nitro-indazole CAS Name: 1-[3-(1-azepanyl)propyl]-5-nitro-3-phenylmethoxyindazole IUPAC Name: 1-[3-(azepan-1-yl)propyl]-5-nitro-3-phenylmethoxyindazole Traditional Name: 1-[3-(azepan-1-yl)propyl]-3-benzoxy-5-nitro-indazole Formula: C23H28N4O3 MolecularWeight: 408.49342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=N2)OCC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)CCCN2C3=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(30-18-19-9-4-3-5-10-19)24-26(22)16-8-15-25-13-6-1-2-7-14-25/h3-5,9-12,17H,1-2,6-8,13-16,18H2