3-[[4-(azepan-1-ylcarbonyl)phenyl]amino]-4-chloranyl-1-cyclohexyl-pyrrole-2,5-dione

Systemtic Name: 3-[[4-(azepan-1-ylcarbonyl)phenyl]amino]-4-chloranyl-1-cyclohexyl-pyrrole-2,5-dione Openeye Name: 3-[4-(azepane-1-carbonyl)anilino]-4-chloro-1-cyclohexyl-pyrrole-2,5-dione CAS Name: 3-[4-[1-azepanyl(oxo)methyl]anilino]-4-chloro-1-cyclohexylpyrrole-2,5-dione IUPAC Name: 3-[4-(azepane-1-carbonyl)anilino]-4-chloro-1-cyclohexylpyrrole-2,5-dione Traditional Name: 3-[4-(azepane-1-carbonyl)anilino]-4-chloro-1-cyclohexyl-3-pyrroline-2,5-quinone Formula: C23H28ClN3O3 MolecularWeight: 429.93972

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)NC3=C(C(=O)N(C3=O)C4CCCCC4)Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)NC3=C(C(=O)N(C3=O)C4CCCCC4)Cl

InChI

InChI=1S/C23H28ClN3O3/c24-19-20(23(30)27(22(19)29)18-8-4-3-5-9-18)25-17-12-10-16(11-13-17)21(28)26-14-6-1-2-7-15-26/h10-13,18,25H,1-9,14-15H2