N-[(Z)-1-[4-(azepan-1-yl)phenyl]ethylideneamino]-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-[(Z)-1-[4-(azepan-1-yl)phenyl]ethylideneamino]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[(Z)-1-[4-(azepan-1-yl)phenyl]ethylideneamino]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[(Z)-1-[4-(1-azepanyl)phenyl]ethylideneamino]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[(Z)-1-[4-(azepan-1-yl)phenyl]ethylideneamino]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-[(Z)-1-[4-(azepan-1-yl)phenyl]ethylideneamino]-4-keto-3H-phthalazine-1-carboxamide Formula: C23H25N5O2 MolecularWeight: 403.4769

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=NNC(=O)C2=CC=CC=C21)C3=CC=C(C=C3)N4CCCCCC4

Isomeric SMILES

C/C(=N/NC(=O)C1=NNC(=O)C2=CC=CC=C21)/C3=CC=C(C=C3)N4CCCCCC4

InChI

InChI=1S/C23H25N5O2/c1-16(17-10-12-18(13-11-17)28-14-6-2-3-7-15-28)24-27-23(30)21-19-8-4-5-9-20(19)22(29)26-25-21/h4-5,8-13H,2-3,6-7,14-15H2,1H3,(H,26,29)(H,27,30)/b24-16-