N-[3-(4-bromophenyl)propyl]-4-(4-chloranylpyridazin-3-yl)-2-methyl-piperazine-1-carboxamide

Systemtic Name: N-[3-(4-bromophenyl)propyl]-4-(4-chloranylpyridazin-3-yl)-2-methyl-piperazine-1-carboxamide Openeye Name: N-[3-(4-bromophenyl)propyl]-4-(4-chloropyridazin-3-yl)-2-methyl-piperazine-1-carboxamide CAS Name: N-[3-(4-bromophenyl)propyl]-4-(4-chloro-3-pyridazinyl)-2-methyl-1-piperazinecarboxamide IUPAC Name: N-[3-(4-bromophenyl)propyl]-4-(4-chloropyridazin-3-yl)-2-methylpiperazine-1-carboxamide Traditional Name: N-[3-(4-bromophenyl)propyl]-4-(4-chloropyridazin-3-yl)-2-methyl-piperazine-1-carboxamide Formula: C19H23BrClN5O MolecularWeight: 452.77582

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)NCCCC2=CC=C(C=C2)Br)C3=C(C=CN=N3)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)NCCCC2=CC=C(C=C2)Br)C3=C(C=CN=N3)Cl

InChI

InChI=1S/C19H23BrClN5O/c1-14-13-25(18-17(21)8-10-23-24-18)11-12-26(14)19(27)22-9-2-3-15-4-6-16(20)7-5-15/h4-8,10,14H,2-3,9,11-13H2,1H3,(H,22,27)