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

Systemtic Name: N-(2-azanylethyl)-1-(4-chlorophenyl)carbonyl-3-(3-methoxyphenyl)carbonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(4-chlorobenzoyl)-3-(3-methoxybenzoyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[(4-chlorophenyl)-oxomethyl]-3-[(3-methoxyphenyl)-oxomethyl]-1,3-diazinane-2-carboxamide IUPAC Name: N-(2-aminoethyl)-1-(4-chlorobenzoyl)-3-(3-methoxybenzoyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-(4-chlorobenzoyl)-3-m-anisoyl-hexahydropyrimidine-2-carboxamide Formula: C22H25ClN4O4 MolecularWeight: 444.9113

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CCCN(C2C(=O)NCCN)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CCCN(C2C(=O)NCCN)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H25ClN4O4/c1-31-18-5-2-4-16(14-18)22(30)27-13-3-12-26(20(27)19(28)25-11-10-24)21(29)15-6-8-17(23)9-7-15/h2,4-9,14,20H,3,10-13,24H2,1H3,(H,25,28)