N2-(2-azanylethyl)-3-(3-methylphenyl)carbonyl-N1-(4-propan-2-ylphenyl)-1,3-diazinane-1,2-dicarboxamide

Systemtic Name: N2-(2-azanylethyl)-3-(3-methylphenyl)carbonyl-N1-(4-propan-2-ylphenyl)-1,3-diazinane-1,2-dicarboxamide Openeye Name: N2-(2-aminoethyl)-N1-(4-isopropylphenyl)-3-(3-methylbenzoyl)hexahydropyrimidine-1,2-dicarboxamide CAS Name: N2-(2-aminoethyl)-3-[(3-methylphenyl)-oxomethyl]-N1-(4-propan-2-ylphenyl)-1,3-diazinane-1,2-dicarboxamide IUPAC Name: 2-N-(2-aminoethyl)-3-(3-methylbenzoyl)-1-N-(4-propan-2-ylphenyl)-1,3-diazinane-1,2-dicarboxamide Traditional Name: N'-(2-aminoethyl)-3-m-toluoyl-N-p-cumenyl-hexahydropyrimidine-1,2-dicarboxamide Formula: C25H33N5O3 MolecularWeight: 451.56122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CCCN(C2C(=O)NCCN)C(=O)NC3=CC=C(C=C3)C(C)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCCN(C2C(=O)NCCN)C(=O)NC3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C25H33N5O3/c1-17(2)19-8-10-21(11-9-19)28-25(33)30-15-5-14-29(23(30)22(31)27-13-12-26)24(32)20-7-4-6-18(3)16-20/h4,6-11,16-17,23H,5,12-15,26H2,1-3H3,(H,27,31)(H,28,33)