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

Systemtic Name: 2-[4-bromanyl-3-[1-(cyclopropylmethyl)-2-oxidanylidene-azepan-3-yl]phenoxy]-4-(imidazol-1-ylmethyl)benzenecarbonitrile Openeye Name: 2-[4-bromo-3-[1-(cyclopropylmethyl)-2-oxo-azepan-3-yl]phenoxy]-4-(imidazol-1-ylmethyl)benzonitrile CAS Name: 2-[4-bromo-3-[1-(cyclopropylmethyl)-2-oxo-3-azepanyl]phenoxy]-4-(1-imidazolylmethyl)benzonitrile IUPAC Name: 2-[4-bromo-3-[1-(cyclopropylmethyl)-2-oxoazepan-3-yl]phenoxy]-4-(imidazol-1-ylmethyl)benzonitrile Traditional Name: 2-[4-bromo-3-[1-(cyclopropylmethyl)-2-keto-azepan-3-yl]phenoxy]-4-(imidazol-1-ylmethyl)benzonitrile Formula: C27H27BrN4O2 MolecularWeight: 519.43288

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)C2=C(C=CC(=C2)OC3=C(C=CC(=C3)CN4C=CN=C4)C#N)Br)CC5CC5

Isomeric SMILES

C1CCN(C(=O)C(C1)C2=C(C=CC(=C2)OC3=C(C=CC(=C3)CN4C=CN=C4)C#N)Br)CC5CC5

InChI

InChI=1S/C27H27BrN4O2/c28-25-9-8-22(14-24(25)23-3-1-2-11-32(27(23)33)17-19-4-5-19)34-26-13-20(6-7-21(26)15-29)16-31-12-10-30-18-31/h6-10,12-14,18-19,23H,1-5,11,16-17H2