(4S)-2-(5-chloranylpyridin-2-yl)-4-(cyclooctyliminomethyl)-4H-isoquinoline-1,3-dione

Systemtic Name: (4S)-2-(5-chloranylpyridin-2-yl)-4-(cyclooctyliminomethyl)-4H-isoquinoline-1,3-dione Openeye Name: (4S)-2-(5-chloro-2-pyridyl)-4-(cyclooctyliminomethyl)-4H-isoquinoline-1,3-dione CAS Name: (4S)-2-(5-chloro-2-pyridinyl)-4-(cyclooctyliminomethyl)-4H-isoquinoline-1,3-dione IUPAC Name: (4S)-2-(5-chloropyridin-2-yl)-4-(cyclooctyliminomethyl)-4H-isoquinoline-1,3-dione Traditional Name: (4S)-2-(5-chloro-2-pyridyl)-4-(cyclooctyliminomethyl)-4H-isoquinoline-1,3-quinone Formula: C23H24ClN3O2 MolecularWeight: 409.90856

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)N=CC2C3=CC=CC=C3C(=O)N(C2=O)C4=NC=C(C=C4)Cl

Isomeric SMILES

C1CCCC(CCC1)N=C[C@@H]2C3=CC=CC=C3C(=O)N(C2=O)C4=NC=C(C=C4)Cl

InChI

InChI=1S/C23H24ClN3O2/c24-16-12-13-21(26-14-16)27-22(28)19-11-7-6-10-18(19)20(23(27)29)15-25-17-8-4-2-1-3-5-9-17/h6-7,10-15,17,20H,1-5,8-9H2/t20-/m1/s1