N-(2-azanylethyl)-1-(3,4-dichlorophenyl)carbonyl-3-pyridin-3-ylcarbonyl-1,3-diazinane-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-1-(3,4-dichlorophenyl)carbonyl-3-pyridin-3-ylcarbonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(3,4-dichlorobenzoyl)-3-(pyridine-3-carbonyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[(3,4-dichlorophenyl)-oxomethyl]-3-[oxo(3-pyridinyl)methyl]-1,3-diazinane-2-carboxamide IUPAC Name: N-(2-aminoethyl)-1-(3,4-dichlorobenzoyl)-3-(pyridine-3-carbonyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-(3,4-dichlorobenzoyl)-3-nicotinoyl-hexahydropyrimidine-2-carboxamide Formula: C20H21Cl2N5O3 MolecularWeight: 450.31844

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N(C1)C(=O)C2=CN=CC=C2)C(=O)NCCN)C(=O)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C1CN(C(N(C1)C(=O)C2=CN=CC=C2)C(=O)NCCN)C(=O)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C20H21Cl2N5O3/c21-15-5-4-13(11-16(15)22)19(29)26-9-2-10-27(18(26)17(28)25-8-6-23)20(30)14-3-1-7-24-12-14/h1,3-5,7,11-12,18H,2,6,8-10,23H2,(H,25,28)