N-[(E)-1-[4-(azepan-1-yl)phenyl]ethylideneamino]phthalazin-1-amine

Systemtic Name: N-[(E)-1-[4-(azepan-1-yl)phenyl]ethylideneamino]phthalazin-1-amine Openeye Name: N-[(E)-1-[4-(azepan-1-yl)phenyl]ethylideneamino]phthalazin-1-amine CAS Name: N-[(E)-1-[4-(1-azepanyl)phenyl]ethylideneamino]-1-phthalazinamine IUPAC Name: N-[(E)-1-[4-(azepan-1-yl)phenyl]ethylideneamino]phthalazin-1-amine Traditional Name: [(E)-1-[4-(azepan-1-yl)phenyl]ethylideneamino]-phthalazin-1-yl-amine Formula: C22H25N5 MolecularWeight: 359.4674

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC1=NN=CC2=CC=CC=C21)C3=CC=C(C=C3)N4CCCCCC4

Isomeric SMILES

C/C(=N\NC1=NN=CC2=CC=CC=C21)/C3=CC=C(C=C3)N4CCCCCC4

InChI

InChI=1S/C22H25N5/c1-17(24-26-22-21-9-5-4-8-19(21)16-23-25-22)18-10-12-20(13-11-18)27-14-6-2-3-7-15-27/h4-5,8-13,16H,2-3,6-7,14-15H2,1H3,(H,25,26)/b24-17+