N-(4-bromanyl-3-methyl-phenyl)-4-(quinoxalin-6-ylmethyl)piperazine-1-carboxamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-4-(quinoxalin-6-ylmethyl)piperazine-1-carboxamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-4-(quinoxalin-6-ylmethyl)piperazine-1-carboxamide CAS Name: N-(4-bromo-3-methylphenyl)-4-(6-quinoxalinylmethyl)-1-piperazinecarboxamide IUPAC Name: N-(4-bromo-3-methylphenyl)-4-(quinoxalin-6-ylmethyl)piperazine-1-carboxamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-4-(quinoxalin-6-ylmethyl)piperazine-1-carboxamide Formula: C21H22BrN5O MolecularWeight: 440.33628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)N2CCN(CC2)CC3=CC4=NC=CN=C4C=C3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)N2CCN(CC2)CC3=CC4=NC=CN=C4C=C3)Br

InChI

InChI=1S/C21H22BrN5O/c1-15-12-17(3-4-18(15)22)25-21(28)27-10-8-26(9-11-27)14-16-2-5-19-20(13-16)24-7-6-23-19/h2-7,12-13H,8-11,14H2,1H3,(H,25,28)