2-[4-bromanyl-3-[3-(cyclopropylmethyl)-1-methyl-2-oxidanylidene-azepan-3-yl]phenoxy]-4-(imidazol-1-ylmethyl)benzenecarbonitrile

Systemtic Name: 2-[4-bromanyl-3-[3-(cyclopropylmethyl)-1-methyl-2-oxidanylidene-azepan-3-yl]phenoxy]-4-(imidazol-1-ylmethyl)benzenecarbonitrile Openeye Name: 2-[4-bromo-3-[3-(cyclopropylmethyl)-1-methyl-2-oxo-azepan-3-yl]phenoxy]-4-(imidazol-1-ylmethyl)benzonitrile CAS Name: 2-[4-bromo-3-[3-(cyclopropylmethyl)-1-methyl-2-oxo-3-azepanyl]phenoxy]-4-(1-imidazolylmethyl)benzonitrile IUPAC Name: 2-[4-bromo-3-[3-(cyclopropylmethyl)-1-methyl-2-oxoazepan-3-yl]phenoxy]-4-(imidazol-1-ylmethyl)benzonitrile Traditional Name: 2-[4-bromo-3-[3-(cyclopropylmethyl)-2-keto-1-methyl-azepan-3-yl]phenoxy]-4-(imidazol-1-ylmethyl)benzonitrile Formula: C28H29BrN4O2 MolecularWeight: 533.45946

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCCC(C1=O)(CC2CC2)C3=C(C=CC(=C3)OC4=C(C=CC(=C4)CN5C=CN=C5)C#N)Br

Isomeric SMILES

CN1CCCCC(C1=O)(CC2CC2)C3=C(C=CC(=C3)OC4=C(C=CC(=C4)CN5C=CN=C5)C#N)Br

InChI

InChI=1S/C28H29BrN4O2/c1-32-12-3-2-10-28(27(32)34,16-20-4-5-20)24-15-23(8-9-25(24)29)35-26-14-21(6-7-22(26)17-30)18-33-13-11-31-19-33/h6-9,11,13-15,19-20H,2-5,10,12,16,18H2,1H3