N-(2-azanylethyl)-1-(4-methylphenyl)carbonyl-3-(3-phenylpropanoyl)-1,3-diazinane-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-1-(4-methylphenyl)carbonyl-3-(3-phenylpropanoyl)-1,3-diazinane-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(4-methylbenzoyl)-3-(3-phenylpropanoyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[(4-methylphenyl)-oxomethyl]-3-(1-oxo-3-phenylpropyl)-1,3-diazinane-2-carboxamide IUPAC Name: N-(2-aminoethyl)-1-(4-methylbenzoyl)-3-(3-phenylpropanoyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-hydrocinnamoyl-3-p-toluoyl-hexahydropyrimidine-2-carboxamide Formula: C24H30N4O3 MolecularWeight: 422.52

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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