N-(2-azanylethyl)-1-(2-cyclopentyl-2-phenyl-ethanoyl)-3-(3-methoxyphenyl)carbonyl-1,3-diazinane-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-1-(2-cyclopentyl-2-phenyl-ethanoyl)-3-(3-methoxyphenyl)carbonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(2-cyclopentyl-2-phenyl-acetyl)-3-(3-methoxybenzoyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-(2-cyclopentyl-1-oxo-2-phenylethyl)-3-[(3-methoxyphenyl)-oxomethyl]-1,3-diazinane-2-carboxamide IUPAC Name: N-(2-aminoethyl)-1-(2-cyclopentyl-2-phenylacetyl)-3-(3-methoxybenzoyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-(2-cyclopentyl-2-phenyl-acetyl)-3-m-anisoyl-hexahydropyrimidine-2-carboxamide Formula: C28H36N4O4 MolecularWeight: 492.60984

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CCCN(C2C(=O)NCCN)C(=O)C(C3CCCC3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CCCN(C2C(=O)NCCN)C(=O)C(C3CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C28H36N4O4/c1-36-23-14-7-13-22(19-23)27(34)31-17-8-18-32(26(31)25(33)30-16-15-29)28(35)24(21-11-5-6-12-21)20-9-3-2-4-10-20/h2-4,7,9-10,13-14,19,21,24,26H,5-6,8,11-12,15-18,29H2,1H3,(H,30,33)