N-(2-azanylethyl)-1-(2-cyclopentyl-2-phenyl-ethanoyl)-3-(4-methylphenyl)carbonyl-1,3-diazinane-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-1-(2-cyclopentyl-2-phenyl-ethanoyl)-3-(4-methylphenyl)carbonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(2-cyclopentyl-2-phenyl-acetyl)-3-(4-methylbenzoyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-(2-cyclopentyl-1-oxo-2-phenylethyl)-3-[(4-methylphenyl)-oxomethyl]-1,3-diazinane-2-carboxamide IUPAC Name: N-(2-aminoethyl)-1-(2-cyclopentyl-2-phenylacetyl)-3-(4-methylbenzoyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-(2-cyclopentyl-2-phenyl-acetyl)-3-p-toluoyl-hexahydropyrimidine-2-carboxamide Formula: C28H36N4O3 MolecularWeight: 476.61044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCCN(C2C(=O)NCCN)C(=O)C(C3CCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCCN(C2C(=O)NCCN)C(=O)C(C3CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C28H36N4O3/c1-20-12-14-23(15-13-20)27(34)31-18-7-19-32(26(31)25(33)30-17-16-29)28(35)24(22-10-5-6-11-22)21-8-3-2-4-9-21/h2-4,8-9,12-15,22,24,26H,5-7,10-11,16-19,29H2,1H3,(H,30,33)