2-[[6-[4-(diphenylmethyl)piperazin-1-yl]pyridin-3-yl]carbonylamino]ethyl nitrate

Systemtic Name: 2-[[6-[4-(diphenylmethyl)piperazin-1-yl]pyridin-3-yl]carbonylamino]ethyl nitrate Openeye Name: 2-[[6-(4-benzhydrylpiperazin-1-yl)pyridine-3-carbonyl]amino]ethyl nitrate CAS Name: nitric acid 2-[[[6-[4-(diphenylmethyl)-1-piperazinyl]-3-pyridinyl]-oxomethyl]amino]ethyl ester IUPAC Name: 2-[[6-(4-benzhydrylpiperazin-1-yl)pyridine-3-carbonyl]amino]ethyl nitrate Traditional Name: nitric acid 2-[[6-(4-benzhydrylpiperazino)nicotinoyl]amino]ethyl ester Formula: C25H27N5O4 MolecularWeight: 461.51298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)C(=O)NCCO[N+](=O)[O-])C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)C(=O)NCCO[N+](=O)[O-])C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H27N5O4/c31-25(26-13-18-34-30(32)33)22-11-12-23(27-19-22)28-14-16-29(17-15-28)24(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-12,19,24H,13-18H2,(H,26,31)