[3-[4-[2-azanyl-3-methyl-4-(2-methylpropoxy)-1-phenyl-butan-2-yl]piperazin-1-yl]-3-oxidanylidene-propyl] nitrate

Systemtic Name: [3-[4-[2-azanyl-3-methyl-4-(2-methylpropoxy)-1-phenyl-butan-2-yl]piperazin-1-yl]-3-oxidanylidene-propyl] nitrate Openeye Name: [3-[4-(1-amino-1-benzyl-3-isobutoxy-2-methyl-propyl)piperazin-1-yl]-3-oxo-propyl] nitrate CAS Name: nitric acid [3-[4-[2-amino-3-methyl-4-(2-methylpropoxy)-1-phenylbutan-2-yl]-1-piperazinyl]-3-oxopropyl] ester IUPAC Name: [3-[4-[2-amino-3-methyl-4-(2-methylpropoxy)-1-phenylbutan-2-yl]piperazin-1-yl]-3-oxopropyl] nitrate Traditional Name: nitric acid [3-[4-(1-amino-1-benzyl-3-isobutoxy-2-methyl-propyl)piperazino]-3-keto-propyl] ester Formula: C22H36N4O5 MolecularWeight: 436.54504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COCC(C)C(CC1=CC=CC=C1)(N)N2CCN(CC2)C(=O)CCO[N+](=O)[O-]

Isomeric SMILES

CC(C)COCC(C)C(CC1=CC=CC=C1)(N)N2CCN(CC2)C(=O)CCO[N+](=O)[O-]

InChI

InChI=1S/C22H36N4O5/c1-18(2)16-30-17-19(3)22(23,15-20-7-5-4-6-8-20)25-12-10-24(11-13-25)21(27)9-14-31-26(28)29/h4-8,18-19H,9-17,23H2,1-3H3