N-(2-azanylethyl)-1-(3-methylphenyl)carbonyl-3-(oxolan-2-ylcarbonyl)-1,3-diazinane-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-1-(3-methylphenyl)carbonyl-3-(oxolan-2-ylcarbonyl)-1,3-diazinane-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(3-methylbenzoyl)-3-(tetrahydrofuran-2-carbonyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[(3-methylphenyl)-oxomethyl]-3-[oxo(2-oxolanyl)methyl]-1,3-diazinane-2-carboxamide IUPAC Name: N-(2-aminoethyl)-1-(3-methylbenzoyl)-3-(oxolane-2-carbonyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-m-toluoyl-3-(tetrahydrofuran-2-carbonyl)hexahydropyrimidine-2-carboxamide Formula: C20H28N4O4 MolecularWeight: 388.46072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CCCN(C2C(=O)NCCN)C(=O)C3CCCO3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCCN(C2C(=O)NCCN)C(=O)C3CCCO3

InChI

InChI=1S/C20H28N4O4/c1-14-5-2-6-15(13-14)19(26)23-10-4-11-24(18(23)17(25)22-9-8-21)20(27)16-7-3-12-28-16/h2,5-6,13,16,18H,3-4,7-12,21H2,1H3,(H,22,25)