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N-[2-(azepan-1-yl)phenyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide

N-[2-(azepan-1-yl)phenyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name:N-[2-(azepan-1-yl)phenyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide
Openeye Name:N-[2-(azepan-1-yl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide
CAS Name:N-[2-(1-azepanyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide
IUPAC Name:N-[2-(azepan-1-yl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide
Traditional Name:N-[2-(azepan-1-yl)phenyl]-4-keto-3H-phthalazine-1-carboxamide
Formula: C21H22N4O2
MolecularWeight: 362.42498
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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=CC=C2NC(=O)C3=NNC(=O)C4=CC=CC=C43


Isomeric SMILES

C1CCCN(CC1)C2=CC=CC=C2NC(=O)C3=NNC(=O)C4=CC=CC=C43


InChI

InChI=1S/C21H22N4O2/c26-20-16-10-4-3-9-15(16)19(23-24-20)21(27)22-17-11-5-6-12-18(17)25-13-7-1-2-8-14-25/h3-6,9-12H,1-2,7-8,13-14H2,(H,22,27)(H,24,26)


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