1-[4-[4-(1,3-benzodioxol-5-ylamino)phthalazin-1-yl]-1,4-diazepan-1-yl]propan-1-one

Systemtic Name: 1-[4-[4-(1,3-benzodioxol-5-ylamino)phthalazin-1-yl]-1,4-diazepan-1-yl]propan-1-one Openeye Name: 1-[4-[4-(1,3-benzodioxol-5-ylamino)phthalazin-1-yl]-1,4-diazepan-1-yl]propan-1-one CAS Name: 1-[4-[4-(1,3-benzodioxol-5-ylamino)-1-phthalazinyl]-1,4-diazepan-1-yl]-1-propanone IUPAC Name: 1-[4-[4-(1,3-benzodioxol-5-ylamino)phthalazin-1-yl]-1,4-diazepan-1-yl]propan-1-one Traditional Name: 1-[4-[4-(1,3-benzodioxol-5-ylamino)phthalazin-1-yl]-1,4-diazepan-1-yl]propan-1-one Formula: C23H25N5O3 MolecularWeight: 419.4763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCCN(CC1)C2=NN=C(C3=CC=CC=C32)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCC(=O)N1CCCN(CC1)C2=NN=C(C3=CC=CC=C32)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H25N5O3/c1-2-21(29)27-10-5-11-28(13-12-27)23-18-7-4-3-6-17(18)22(25-26-23)24-16-8-9-19-20(14-16)31-15-30-19/h3-4,6-9,14H,2,5,10-13,15H2,1H3,(H,24,25)