(4S)-4-(cyclohexyliminomethyl)-2-pyridin-2-yl-4H-isoquinoline-1,3-dione

Systemtic Name: (4S)-4-(cyclohexyliminomethyl)-2-pyridin-2-yl-4H-isoquinoline-1,3-dione Openeye Name: (4S)-4-(cyclohexyliminomethyl)-2-(2-pyridyl)-4H-isoquinoline-1,3-dione CAS Name: (4S)-4-(cyclohexyliminomethyl)-2-(2-pyridinyl)-4H-isoquinoline-1,3-dione IUPAC Name: (4S)-4-(cyclohexyliminomethyl)-2-pyridin-2-yl-4H-isoquinoline-1,3-dione Traditional Name: (4S)-4-(cyclohexyliminomethyl)-2-(2-pyridyl)-4H-isoquinoline-1,3-quinone Formula: C21H21N3O2 MolecularWeight: 347.41034

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N=CC2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC=N4

Isomeric SMILES

C1CCC(CC1)N=C[C@@H]2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC=N4

InChI

InChI=1S/C21H21N3O2/c25-20-17-11-5-4-10-16(17)18(14-23-15-8-2-1-3-9-15)21(26)24(20)19-12-6-7-13-22-19/h4-7,10-15,18H,1-3,8-9H2/t18-/m1/s1