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

Systemtic Name: N-[(E)-1-[4-(azepan-1-yl)phenyl]ethylideneamino]-3-ethyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[(E)-1-[4-(azepan-1-yl)phenyl]ethylideneamino]-3-ethyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(E)-1-[4-(1-azepanyl)phenyl]ethylideneamino]-3-ethyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[(E)-1-[4-(azepan-1-yl)phenyl]ethylideneamino]-3-ethyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[(E)-1-[4-(azepan-1-yl)phenyl]ethylideneamino]-3-ethyl-4-keto-phthalazine-1-carboxamide Formula: C25H29N5O2 MolecularWeight: 431.53006

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=C(C)C3=CC=C(C=C3)N4CCCCCC4

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N/N=C(\C)/C3=CC=C(C=C3)N4CCCCCC4

InChI

InChI=1S/C25H29N5O2/c1-3-30-25(32)22-11-7-6-10-21(22)23(28-30)24(31)27-26-18(2)19-12-14-20(15-13-19)29-16-8-4-5-9-17-29/h6-7,10-15H,3-5,8-9,16-17H2,1-2H3,(H,27,31)/b26-18+