7-chloranyl-3-[4-(ethylamino)phenyl]-3-methyl-1-(phenylmethyl)-5-piperazin-1-yl-quinoline-2,4-dione

Systemtic Name: 7-chloranyl-3-[4-(ethylamino)phenyl]-3-methyl-1-(phenylmethyl)-5-piperazin-1-yl-quinoline-2,4-dione Openeye Name: 1-benzyl-7-chloro-3-[4-(ethylamino)phenyl]-3-methyl-5-piperazin-1-yl-quinoline-2,4-dione CAS Name: 7-chloro-3-[4-(ethylamino)phenyl]-3-methyl-1-(phenylmethyl)-5-(1-piperazinyl)quinoline-2,4-dione IUPAC Name: 1-benzyl-7-chloro-3-[4-(ethylamino)phenyl]-3-methyl-5-piperazin-1-ylquinoline-2,4-dione Traditional Name: 1-benzyl-7-chloro-3-[4-(ethylamino)phenyl]-3-methyl-5-piperazino-quinoline-2,4-quinone Formula: C29H31ClN4O2 MolecularWeight: 503.03504

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=CC=C(C=C1)C2(C(=O)C3=C(C=C(C=C3N(C2=O)CC4=CC=CC=C4)Cl)N5CCNCC5)C

Isomeric SMILES

CCNC1=CC=C(C=C1)C2(C(=O)C3=C(C=C(C=C3N(C2=O)CC4=CC=CC=C4)Cl)N5CCNCC5)C

InChI

InChI=1S/C29H31ClN4O2/c1-3-32-23-11-9-21(10-12-23)29(2)27(35)26-24(33-15-13-31-14-16-33)17-22(30)18-25(26)34(28(29)36)19-20-7-5-4-6-8-20/h4-12,17-18,31-32H,3,13-16,19H2,1-2H3