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

Systemtic Name: N-(2-azanylethyl)-1-(3-methylphenyl)carbonyl-3-(3-phenylpropanoyl)-1,3-diazinane-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(3-methylbenzoyl)-3-(3-phenylpropanoyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[(3-methylphenyl)-oxomethyl]-3-(1-oxo-3-phenylpropyl)-1,3-diazinane-2-carboxamide IUPAC Name: N-(2-aminoethyl)-1-(3-methylbenzoyl)-3-(3-phenylpropanoyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-hydrocinnamoyl-3-m-toluoyl-hexahydropyrimidine-2-carboxamide Formula: C24H30N4O3 MolecularWeight: 422.52

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CCCN(C2C(=O)NCCN)C(=O)CCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCCN(C2C(=O)NCCN)C(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C24H30N4O3/c1-18-7-5-10-20(17-18)24(31)28-16-6-15-27(23(28)22(30)26-14-13-25)21(29)12-11-19-8-3-2-4-9-19/h2-5,7-10,17,23H,6,11-16,25H2,1H3,(H,26,30)