5-(2-chloranylethanoylamino)-N3,N3-bis(2-methylbutylamino)benzene-1,3-dicarboxamide

Systemtic Name: 5-(2-chloranylethanoylamino)-N3,N3-bis(2-methylbutylamino)benzene-1,3-dicarboxamide Openeye Name: 5-[(2-chloroacetyl)amino]-N3,N3-bis(2-methylbutylamino)benzene-1,3-dicarboxamide CAS Name: 5-[(2-chloro-1-oxoethyl)amino]-N3,N3-bis(2-methylbutylamino)benzene-1,3-dicarboxamide IUPAC Name: 5-[(2-chloroacetyl)amino]-3-N,3-N-bis(2-methylbutylamino)benzene-1,3-dicarboxamide Traditional Name: 5-[(2-chloroacetyl)amino]-N',N'-bis(2-methylbutylamino)isophthalamide Formula: C20H32ClN5O3 MolecularWeight: 425.95278

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CNN(C(=O)C1=CC(=CC(=C1)C(=O)N)NC(=O)CCl)NCC(C)CC

Isomeric SMILES

CCC(C)CNN(C(=O)C1=CC(=CC(=C1)C(=O)N)NC(=O)CCl)NCC(C)CC

InChI

InChI=1S/C20H32ClN5O3/c1-5-13(3)11-23-26(24-12-14(4)6-2)20(29)16-7-15(19(22)28)8-17(9-16)25-18(27)10-21/h7-9,13-14,23-24H,5-6,10-12H2,1-4H3,(H2,22,28)(H,25,27)