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

Systemtic Name: 3-[[4-(azepan-1-ylcarbonyl)phenyl]amino]-4-chloranyl-1-phenethyl-pyrrole-2,5-dione Openeye Name: 3-[4-(azepane-1-carbonyl)anilino]-4-chloro-1-phenethyl-pyrrole-2,5-dione CAS Name: 3-[4-[1-azepanyl(oxo)methyl]anilino]-4-chloro-1-phenethylpyrrole-2,5-dione IUPAC Name: 3-[4-(azepane-1-carbonyl)anilino]-4-chloro-1-phenethylpyrrole-2,5-dione Traditional Name: 3-[4-(azepane-1-carbonyl)anilino]-4-chloro-1-phenethyl-3-pyrroline-2,5-quinone Formula: C25H26ClN3O3 MolecularWeight: 451.94524

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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)CCC4=CC=CC=C4)Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)NC3=C(C(=O)N(C3=O)CCC4=CC=CC=C4)Cl

InChI

InChI=1S/C25H26ClN3O3/c26-21-22(25(32)29(24(21)31)17-14-18-8-4-3-5-9-18)27-20-12-10-19(11-13-20)23(30)28-15-6-1-2-7-16-28/h3-5,8-13,27H,1-2,6-7,14-17H2