3-chloranyl-4-[[3-[(2S)-2-ethylpiperidin-1-yl]carbonylphenyl]amino]-1-phenethyl-pyrrole-2,5-dione

Systemtic Name: 3-chloranyl-4-[[3-[(2S)-2-ethylpiperidin-1-yl]carbonylphenyl]amino]-1-phenethyl-pyrrole-2,5-dione Openeye Name: 3-chloro-4-[3-[(2S)-2-ethylpiperidine-1-carbonyl]anilino]-1-phenethyl-pyrrole-2,5-dione CAS Name: 3-chloro-4-[3-[[(2S)-2-ethyl-1-piperidinyl]-oxomethyl]anilino]-1-phenethylpyrrole-2,5-dione IUPAC Name: 3-chloro-4-[3-[(2S)-2-ethylpiperidine-1-carbonyl]anilino]-1-phenethylpyrrole-2,5-dione Traditional Name: 3-chloro-4-[3-[(2S)-2-ethylpiperidine-1-carbonyl]anilino]-1-phenethyl-3-pyrroline-2,5-quinone Formula: C26H28ClN3O3 MolecularWeight: 465.97182

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)C2=CC(=CC=C2)NC3=C(C(=O)N(C3=O)CCC4=CC=CC=C4)Cl

Isomeric SMILES

CC[C@H]1CCCCN1C(=O)C2=CC(=CC=C2)NC3=C(C(=O)N(C3=O)CCC4=CC=CC=C4)Cl

InChI

InChI=1S/C26H28ClN3O3/c1-2-21-13-6-7-15-29(21)24(31)19-11-8-12-20(17-19)28-23-22(27)25(32)30(26(23)33)16-14-18-9-4-3-5-10-18/h3-5,8-12,17,21,28H,2,6-7,13-16H2,1H3/t21-/m0/s1