1,3-dicyclohexyl-5-[[1-(1H-indol-3-yl)butan-2-ylamino]methylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 1,3-dicyclohexyl-5-[[1-(1H-indol-3-yl)butan-2-ylamino]methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1,3-dicyclohexyl-5-[[1-(1H-indol-3-ylmethyl)propylamino]methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1,3-dicyclohexyl-5-[[1-(1H-indol-3-yl)butan-2-ylamino]methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1,3-dicyclohexyl-5-[[1-(1H-indol-3-yl)butan-2-ylamino]methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1,3-dicyclohexyl-5-[[1-(1H-indol-3-ylmethyl)propylamino]methylene]barbituric acid Formula: C29H38N4O3 MolecularWeight: 490.63702

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CNC2=CC=CC=C21)NC=C3C(=O)N(C(=O)N(C3=O)C4CCCCC4)C5CCCCC5

Isomeric SMILES

CCC(CC1=CNC2=CC=CC=C21)NC=C3C(=O)N(C(=O)N(C3=O)C4CCCCC4)C5CCCCC5

InChI

InChI=1S/C29H38N4O3/c1-2-21(17-20-18-31-26-16-10-9-15-24(20)26)30-19-25-27(34)32(22-11-5-3-6-12-22)29(36)33(28(25)35)23-13-7-4-8-14-23/h9-10,15-16,18-19,21-23,30-31H,2-8,11-14,17H2,1H3