1-heptyl-5-[[1-(phenylmethyl)indol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 1-heptyl-5-[[1-(phenylmethyl)indol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(1-benzylindol-3-yl)methylene]-1-heptyl-hexahydropyrimidine-2,4,6-trione CAS Name: 1-heptyl-5-[[1-(phenylmethyl)-3-indolyl]methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(1-benzylindol-3-yl)methylidene]-1-heptyl-1,3-diazinane-2,4,6-trione Traditional Name: 5-[(1-benzylindol-3-yl)methylene]-1-heptyl-barbituric acid Formula: C27H29N3O3 MolecularWeight: 443.53746

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C(=O)C(=CC2=CN(C3=CC=CC=C32)CC4=CC=CC=C4)C(=O)NC1=O

Isomeric SMILES

CCCCCCCN1C(=O)C(=CC2=CN(C3=CC=CC=C32)CC4=CC=CC=C4)C(=O)NC1=O

InChI

InChI=1S/C27H29N3O3/c1-2-3-4-5-11-16-30-26(32)23(25(31)28-27(30)33)17-21-19-29(18-20-12-7-6-8-13-20)24-15-10-9-14-22(21)24/h6-10,12-15,17,19H,2-5,11,16,18H2,1H3,(H,28,31,33)