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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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