5-(2-chloroethyl)-7,7-dimethyl-2-phenethyl-3,5-dihydroimidazo[4,5-h]isoquinoline-4,6-dione

Systemtic Name: 5-(2-chloroethyl)-7,7-dimethyl-2-phenethyl-3,5-dihydroimidazo[4,5-h]isoquinoline-4,6-dione Openeye Name: 5-(2-chloroethyl)-7,7-dimethyl-2-phenethyl-3,5-dihydroimidazo[4,5-h]isoquinoline-4,6-dione CAS Name: 5-(2-chloroethyl)-7,7-dimethyl-2-phenethyl-3,5-dihydroimidazo[4,5-h]isoquinoline-4,6-dione IUPAC Name: 5-(2-chloroethyl)-7,7-dimethyl-2-phenethyl-3,5-dihydroimidazo[4,5-h]isoquinoline-4,6-dione Traditional Name: 5-(2-chloroethyl)-7,7-dimethyl-2-phenethyl-3,5-dihydroimidaz[4,5-h]isoquinoline-4,6-quinone Formula: C22H22ClN3O2 MolecularWeight: 395.88198

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C2=C(C=N1)C3=C(C(=O)C2CCCl)NC(=N3)CCC4=CC=CC=C4)C

Isomeric SMILES

CC1(C(=O)C2=C(C=N1)C3=C(C(=O)C2CCCl)NC(=N3)CCC4=CC=CC=C4)C

InChI

InChI=1S/C22H22ClN3O2/c1-22(2)21(28)17-14(10-11-23)20(27)19-18(15(17)12-24-22)25-16(26-19)9-8-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3,(H,25,26)