(phenylmethyl) N-[2-[bis[(4-oxidanylidene-3H-phthalazin-1-yl)methyl]amino]ethyl]carbamate

Systemtic Name: (phenylmethyl) N-[2-[bis[(4-oxidanylidene-3H-phthalazin-1-yl)methyl]amino]ethyl]carbamate Openeye Name: benzyl N-[2-[bis[(4-oxo-3H-phthalazin-1-yl)methyl]amino]ethyl]carbamate CAS Name: N-[2-[bis[(4-oxo-3H-phthalazin-1-yl)methyl]amino]ethyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[2-[bis[(4-oxo-3H-phthalazin-1-yl)methyl]amino]ethyl]carbamate Traditional Name: N-[2-[bis[(4-keto-3H-phthalazin-1-yl)methyl]amino]ethyl]carbamic acid benzyl ester Formula: C28H26N6O4 MolecularWeight: 510.54384

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NCCN(CC2=NNC(=O)C3=CC=CC=C32)CC4=NNC(=O)C5=CC=CC=C54

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NCCN(CC2=NNC(=O)C3=CC=CC=C32)CC4=NNC(=O)C5=CC=CC=C54

InChI

InChI=1S/C28H26N6O4/c35-26-22-12-6-4-10-20(22)24(30-32-26)16-34(15-14-29-28(37)38-18-19-8-2-1-3-9-19)17-25-21-11-5-7-13-23(21)27(36)33-31-25/h1-13H,14-18H2,(H,29,37)(H,32,35)(H,33,36)