4-(2-hydroxyethyl)-2-[(4-iodanyl-2-methyl-phenyl)amino]-5-piperazin-1-yl-3-propyl-benzamide

Systemtic Name: 4-(2-hydroxyethyl)-2-[(4-iodanyl-2-methyl-phenyl)amino]-5-piperazin-1-yl-3-propyl-benzamide Openeye Name: 4-(2-hydroxyethyl)-2-(4-iodo-2-methyl-anilino)-5-piperazin-1-yl-3-propyl-benzamide CAS Name: 4-(2-hydroxyethyl)-2-(4-iodo-2-methylanilino)-5-(1-piperazinyl)-3-propylbenzamide IUPAC Name: 4-(2-hydroxyethyl)-2-(4-iodo-2-methylanilino)-5-piperazin-1-yl-3-propylbenzamide Traditional Name: 4-(2-hydroxyethyl)-2-(4-iodo-2-methyl-anilino)-5-piperazino-3-propyl-benzamide Formula: C23H31IN4O2 MolecularWeight: 522.42231

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=CC(=C1CCO)N2CCNCC2)C(=O)N)NC3=C(C=C(C=C3)I)C

Isomeric SMILES

CCCC1=C(C(=CC(=C1CCO)N2CCNCC2)C(=O)N)NC3=C(C=C(C=C3)I)C

InChI

InChI=1S/C23H31IN4O2/c1-3-4-18-17(7-12-29)21(28-10-8-26-9-11-28)14-19(23(25)30)22(18)27-20-6-5-16(24)13-15(20)2/h5-6,13-14,26-27,29H,3-4,7-12H2,1-2H3,(H2,25,30)