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

Systemtic Name: N-[(Z)-[4-(azepan-1-yl)phenyl]methylideneamino]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[(Z)-[4-(azepan-1-yl)phenyl]methyleneamino]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[(Z)-[4-(1-azepanyl)phenyl]methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[(Z)-[4-(azepan-1-yl)phenyl]methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-[(Z)-[4-(azepan-1-yl)benzylidene]amino]-4-keto-3H-phthalazine-1-carboxamide Formula: C22H23N5O2 MolecularWeight: 389.45032

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)C=NNC(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)/C=N\NC(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C22H23N5O2/c28-21-19-8-4-3-7-18(19)20(24-26-21)22(29)25-23-15-16-9-11-17(12-10-16)27-13-5-1-2-6-14-27/h3-4,7-12,15H,1-2,5-6,13-14H2,(H,25,29)(H,26,28)/b23-15-