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

Systemtic Name: N-(2-azanylethyl)-1-(4-chlorophenyl)carbonyl-3-(4-methylphenyl)carbonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(4-chlorobenzoyl)-3-(4-methylbenzoyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[(4-chlorophenyl)-oxomethyl]-3-[(4-methylphenyl)-oxomethyl]-1,3-diazinane-2-carboxamide IUPAC Name: N-(2-aminoethyl)-1-(4-chlorobenzoyl)-3-(4-methylbenzoyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-(4-chlorobenzoyl)-3-p-toluoyl-hexahydropyrimidine-2-carboxamide Formula: C22H25ClN4O3 MolecularWeight: 428.9119

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN4O3/c1-15-3-5-16(6-4-15)21(29)26-13-2-14-27(20(26)19(28)25-12-11-24)22(30)17-7-9-18(23)10-8-17/h3-10,20H,2,11-14,24H2,1H3,(H,25,28)