4-[(5-bromanyl-2-cyclohex-2-en-1-yloxy-phenyl)methyl-ethyl-amino]pyridazine-3-carbonitrile

Systemtic Name: 4-[(5-bromanyl-2-cyclohex-2-en-1-yloxy-phenyl)methyl-ethyl-amino]pyridazine-3-carbonitrile Openeye Name: 4-[(5-bromo-2-cyclohex-2-en-1-yloxy-phenyl)methyl-ethyl-amino]pyridazine-3-carbonitrile CAS Name: 4-[[5-bromo-2-(1-cyclohex-2-enyloxy)phenyl]methyl-ethylamino]-3-pyridazinecarbonitrile IUPAC Name: 4-[(5-bromo-2-cyclohex-2-en-1-yloxyphenyl)methyl-ethylamino]pyridazine-3-carbonitrile Traditional Name: 4-[(5-bromo-2-cyclohex-2-en-1-yloxy-benzyl)-ethyl-amino]pyridazine-3-carbonitrile Formula: C20H21BrN4O MolecularWeight: 413.31094

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=C(C=CC(=C1)Br)OC2CCCC=C2)C3=C(N=NC=C3)C#N

Isomeric SMILES

CCN(CC1=C(C=CC(=C1)Br)OC2CCCC=C2)C3=C(N=NC=C3)C#N

InChI

InChI=1S/C20H21BrN4O/c1-2-25(19-10-11-23-24-18(19)13-22)14-15-12-16(21)8-9-20(15)26-17-6-4-3-5-7-17/h4,6,8-12,17H,2-3,5,7,14H2,1H3