diethyl-[(4S)-4-[[2-oxidanylidene-2-[(4-oxidanylidene-3H-phthalazin-1-yl)methylamino]ethanoyl]amino]pentyl]azanium

Systemtic Name: diethyl-[(4S)-4-[[2-oxidanylidene-2-[(4-oxidanylidene-3H-phthalazin-1-yl)methylamino]ethanoyl]amino]pentyl]azanium Openeye Name: diethyl-[(4S)-4-[[2-oxo-2-[(4-oxo-3H-phthalazin-1-yl)methylamino]acetyl]amino]pentyl]ammonium CAS Name: [(4S)-4-[[1,2-dioxo-2-[(4-oxo-3H-phthalazin-1-yl)methylamino]ethyl]amino]pentyl]-diethylammonium IUPAC Name: diethyl-[(4S)-4-[[2-oxo-2-[(4-oxo-3H-phthalazin-1-yl)methylamino]acetyl]amino]pentyl]azanium Traditional Name: diethyl-[(4S)-4-[[2-keto-2-[(4-keto-3H-phthalazin-1-yl)methylamino]acetyl]amino]pentyl]ammonium Formula: C20H30N5O3+ MolecularWeight: 388.4839

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCC(C)NC(=O)C(=O)NCC1=NNC(=O)C2=CC=CC=C21

Isomeric SMILES

CC[NH+](CC)CCC[C@H](C)NC(=O)C(=O)NCC1=NNC(=O)C2=CC=CC=C21

InChI

InChI=1S/C20H29N5O3/c1-4-25(5-2)12-8-9-14(3)22-20(28)19(27)21-13-17-15-10-6-7-11-16(15)18(26)24-23-17/h6-7,10-11,14H,4-5,8-9,12-13H2,1-3H3,(H,21,27)(H,22,28)(H,24,26)/p+1/t14-/m0/s1