2-[4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]ethyl N-[2-(5-morpholin-4-yl-1,2,3,4-tetrazol-2-yl)propanoylamino]carbamate

Systemtic Name: 2-[4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]ethyl N-[2-(5-morpholin-4-yl-1,2,3,4-tetrazol-2-yl)propanoylamino]carbamate Openeye Name: 2-[4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]ethyl N-[2-(5-morpholinotetrazol-2-yl)propanoylamino]carbamate CAS Name: N-[[2-[5-(4-morpholinyl)-2-tetrazolyl]-1-oxopropyl]amino]carbamic acid 2-[4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-piperazinyl]ethyl ester IUPAC Name: 2-[4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]ethyl N-[2-(5-morpholin-4-yltetrazol-2-yl)propanoylamino]carbamate Traditional Name: N-[2-(5-morpholinotetrazol-2-yl)propanoylamino]carbamic acid 2-[4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazino]ethyl ester Formula: C24H35N9O7 MolecularWeight: 561.5908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NNC(=O)OCCN1CCN(CC1)CC2=CC3=C(C(=C2)OC)OCO3)N4N=C(N=N4)N5CCOCC5

Isomeric SMILES

CC(C(=O)NNC(=O)OCCN1CCN(CC1)CC2=CC3=C(C(=C2)OC)OCO3)N4N=C(N=N4)N5CCOCC5

InChI

InChI=1S/C24H35N9O7/c1-17(33-28-23(26-29-33)32-8-10-37-11-9-32)22(34)25-27-24(35)38-12-7-30-3-5-31(6-4-30)15-18-13-19(36-2)21-20(14-18)39-16-40-21/h13-14,17H,3-12,15-16H2,1-2H3,(H,25,34)(H,27,35)