1-[4-[4-(1,3-benzodioxol-5-ylamino)phthalazin-1-yl]-1,4-diazepan-1-yl]-2-methoxy-ethanone

Systemtic Name: 1-[4-[4-(1,3-benzodioxol-5-ylamino)phthalazin-1-yl]-1,4-diazepan-1-yl]-2-methoxy-ethanone Openeye Name: 1-[4-[4-(1,3-benzodioxol-5-ylamino)phthalazin-1-yl]-1,4-diazepan-1-yl]-2-methoxy-ethanone CAS Name: 1-[4-[4-(1,3-benzodioxol-5-ylamino)-1-phthalazinyl]-1,4-diazepan-1-yl]-2-methoxyethanone IUPAC Name: 1-[4-[4-(1,3-benzodioxol-5-ylamino)phthalazin-1-yl]-1,4-diazepan-1-yl]-2-methoxyethanone Traditional Name: 1-[4-[4-(1,3-benzodioxol-5-ylamino)phthalazin-1-yl]-1,4-diazepan-1-yl]-2-methoxy-ethanone Formula: C23H25N5O4 MolecularWeight: 435.4757

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N5O4/c1-30-14-21(29)27-9-4-10-28(12-11-27)23-18-6-3-2-5-17(18)22(25-26-23)24-16-7-8-19-20(13-16)32-15-31-19/h2-3,5-8,13H,4,9-12,14-15H2,1H3,(H,24,25)